Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5624913

Cl.Cl.O=C(O)COCc1ccccc1CN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.51

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
HTR7 known ✓ P34969 2/20 0.51
HRH1 known ✓ P35367 3/20 0.45
SLC6A2 known ✓ P23975 1/20 0.43
HRH2 known ✓ P25021 1/20 0.43
HTR2A known ✓ P28223 1/20 0.43
SLC6A4 known ✓ P31645 1/20 0.43
DRD3 known ✓ P35462 1/20 0.43
HTR2B known ✓ P41595 1/20 0.43
SLC6A3 known ✓ Q01959 1/20 0.43
KCNH2 known ✓ Q12809 1/20 0.43
BCL2 P10415 6/20 0.48
BAK1 Q16611 3/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
BCL2L1 Q07817 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
TEK Q02763 1/20 0.43

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
SCHEMBL1137904 0.99 HTR7 (0.52) HTR7BCL2BAK1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5686168 0.88 HRH1 (0.60) HTR7BCL2BAK1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL219199 0.88 HRH1 (0.60) HTR7BCL2BAK1ALDH1A1KDM4E
SCHEMBL1446676 0.86 LMNA (0.53) HTR7BCL2BAK1ALDH1A1KDM4E
SCHEMBL219876 0.86 HRH1 (0.59) HTR7BCL2BAK1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10930701 0.86 HRH1 (0.58) HTR7BCL2BAK1ALDH1A1KDM4E
SCHEMBL2058761 0.84 HRH1 (0.57) HTR7BCL2BAK1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1138155 0.84 HTR7 (0.47) HTR7BCL2BAK1ALDH1A1KDM4E
SCHEMBL9291600 0.84 FFAR4 (0.57) FFAR1FFAR4SLC6A4SLC6A3PTGDR2
SCHEMBL1138132 0.83 HTR7 (0.47) HTR7BCL2BAK1ALDH1A1KDM4E

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
US-7297697-B2 with alkenyl moiety substituted at the 1-position of the piperazine unit; useful in the treatment of histamine mediated diseases SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2007-11-20 US disclosed
US-20050107393-A1 4-(diarylmethyl)-1-piperazinyl derivatives SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2005-05-19 US 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-20050107393-A1 4-(diarylmethyl)-1-piperazinyl derivatives NPY2R, NPY1R, CBR3 HTR7 776/4885HRH1 111/4885SLC6A2 1722/4885

“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.