Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9504628

CCCN(CCOc1ccccc1Cl)CCc1ccc(O)c(O)c1.Cl

nearest known ligand 0.61

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 20)

geneUniProtsupporting neighboursconfidence
ADRA1D known ✓ P25100 2/20 0.61
ADRA1A known ✓ P35348 2/20 0.61
ADRA1B known ✓ P35368 2/20 0.61
DRD2 known ✓ P14416 1/20 0.61
DRD1 known ✓ P21728 1/20 0.61
DRD4 known ✓ P21917 1/20 0.61
DRD3 known ✓ P35462 1/20 0.61
HTR1A known ✓ P08908 1/20 0.51
HTR1D known ✓ P28221 1/20 0.51
HTR1B known ✓ P28222 1/20 0.51
HTR2A known ✓ P28223 1/20 0.51
HTR7 known ✓ P34969 1/20 0.51
HTR2B known ✓ P41595 1/20 0.51
HTR5A known ✓ P47898 1/20 0.51
SIGMAR1 known ✓ Q99720 2/20 0.50
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
DRD5 P21918 1/20 0.61

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
SCHEMBL9504477 0.99 ADRA1D (0.63) ADRA1DADRA1AADRA1BCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9507149 0.87 DRD2 (0.63) ADRA1DADRA1AADRA1BCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9505408 0.87 ADRA1D (0.63) ADRA1DADRA1AADRA1BCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9505511 0.87 ADRA1D (0.73) ADRA1DADRA1AADRA1BCYP3A4CYP2D6
SCHEMBL9503683 0.86 DRD2 (0.64) ADRA1DADRA1AADRA1BCYP3A4CYP2D6
SCHEMBL9506540 0.86 ADRA1D (0.64) ADRA1DADRA1AADRA1BCYP3A4CYP2D6
SCHEMBL9504487 0.86 ADRA1D (0.74) ADRA1DADRA1AADRA1BCYP3A4CYP2D6
SCHEMBL9504442 0.85 ADRA1D (0.63) ADRA1DADRA1AADRA1BCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9504430 0.83 ADRA1D (0.68) ADRA1DADRA1AADRA1BCYP3A4CYP2D6
SCHEMBL9504438 0.82 ADRA1D (0.69) ADRA1DADRA1AADRA1BCYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321967-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
EP-0321967-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed