Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6659697

Cc1cccc(OC(=O)CN2CCc3sccc3C2)c1Cl.Cl

nearest known ligand 0.48

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
ADRA2A known ✓ P08913 2/20 0.43
DRD1 known ✓ P21728 2/20 0.43
OPRM1 known ✓ P35372 2/20 0.43
OPRK1 known ✓ P41145 2/20 0.43
HTR2B known ✓ P41595 2/20 0.43
KCNH2 known ✓ Q12809 2/20 0.43
ADRB3 known ✓ P13945 1/20 0.43
ADRA2B known ✓ P18089 1/20 0.43
ADRA2C known ✓ P18825 1/20 0.43
DRD4 known ✓ P21917 1/20 0.43
HRH2 known ✓ P25021 1/20 0.43
ADRA1A known ✓ P35348 1/20 0.43
DRD3 known ✓ P35462 1/20 0.43
SIGMAR1 known ✓ Q99720 1/20 0.43
CHRM2 known ✓ P08172 1/20 0.41
HTR2A known ✓ P28223 1/20 0.41
SLC6A4 known ✓ P31645 1/20 0.41
P2RY12 known ✓ Q9H244 1/20 0.41
GAA known ✓ P10253 1/20 0.36
KCNQ2 known ✓ O43526 1/20 0.36

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
Hydrochloric Acid SCHEMBL6635562 0.85 MAPK1 (0.57) CYP2C19KDM4ETSHRMAPK1RECQL
SCHEMBL27597677 0.84 ABCB11 (0.56) CYP2C19KDM4ETSHRMAPK1RECQL
Hydrochloric Acid SCHEMBL6659698 0.81 NPSR1 (0.45) CYP2C19KDM4ETSHRMAPK1RECQL
SCHEMBL6631313 0.76 CYP2C19 (0.49) CYP2C19KDM4ETSHRMAPK1RECQL
Water SCHEMBL11003040 0.75 ALDH1A1 (0.47) CYP2C19KDM4ETSHRMAPK1RECQL
Hydrochloric Acid SCHEMBL27666357 0.74 KDM4E (0.55) CYP2C19KDM4ETSHRMAPK1RECQL
SCHEMBL27635008 0.73 ABCB11 (0.54) CYP2C19KDM4ETSHRMAPK1RECQL
Hydrochloric Acid SCHEMBL9097946 0.73 MAPK1 (0.65) CYP2C19KDM4ETSHRMAPK1RECQL
SCHEMBL8801055 0.70 CYP2C19 (0.47) CYP2C19KDM4ETSHRMAPK1RECQL
SCHEMBL6369881 0.70 ALDH1A1 (0.50) CYP2C19KDM4ETSHRMAPK1RECQL

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-1474427-A1 POLYMORPHS OF CLOPIDOGREL HYDROCHLORIDE AND THEIR USE AS ANTITHROMBIC COMPOUNDS EGIS GYOGYSZERGYAR (HU) 2004-11-10 EP disclosed
WO-2003066637-A1 POLYMORPHS OF CLOPIDOGREL HYDROCHLORIDE AND THEIR USE AS ANTITHROMBIC COMPOUNDS EGIS Gyógyszergyár Rt. (HU) 2003-08-14 WO disclosed