Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6213630

Cl.O=C1C2CCC(O)CC2C(=O)N1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A known ✓ P35348 11/20 0.54
ADRA1B known ✓ P35368 10/20 0.54
ADRA1D known ✓ P25100 9/20 0.54
DRD2 known ✓ P14416 2/20 0.47
HTR1A known ✓ P08908 1/20 0.47
HTR2A known ✓ P28223 1/20 0.47
HTR7 known ✓ P34969 1/20 0.47
HTR6 known ✓ P50406 1/20 0.47
DRD3 known ✓ P35462 1/20 0.46
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5175286 0.99 ADRA1A (0.55) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6407537 0.88 HTR1A (0.55) ADRA1AADRA1BADRA1DCYP3A4DRD2
SCHEMBL5176069 0.87 HTR1A (0.55) ADRA1AADRA1BADRA1DCYP3A4DRD2
SCHEMBL6212178 0.86 ADRA1A (0.56) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4520908 0.86 DRD2 (0.63) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6406164 0.85 ADRA1A (0.57) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL4528941 0.85 DRD2 (0.64) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4517673 0.84 HTR1A (0.51) DRD2HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL6214323 0.84 DRD2 (0.51) ADRA1AADRA1BADRA1DCYP3A4DRD2
SCHEMBL4522586 0.83 HTR1A (0.51) ADRA1AADRA1BADRA1DCYP3A4DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050228180-A1 Alpha, omega-dicarboximide derivatives as useful uro-selective a1a adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2005-10-13 US claimed
EP-1495000-A4 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LAB LTD (IN) 2005-10-05 EP claimed
EP-1495000-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES, LTD. (IN) 2005-01-12 EP claimed
WO-2003084928-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE Α1Α ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (IN) 2003-10-16 WO claimed
US-20050228180-A1 Alpha, omega-dicarboximide derivatives as useful uro-selective a1a adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2005-10-13 US disclosed
EP-1495000-A4 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LAB LTD (IN) 2005-10-05 EP disclosed
EP-1495000-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES, LTD. (IN) 2005-01-12 EP disclosed
WO-2003084928-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE Α1Α ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (IN) 2003-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050228180-A1 Alpha, omega-dicarboximide derivatives as useful uro-selective a1a adrenoceptor blockers ADRA1A, ADRB1, ADRA1B ADRA1A 1/4885ADRA1B 3/4885ADRA1D 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.