Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7796038

Cl.O=C(OCc1ccccn1)c1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

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
DRD3 known ✓ P35462 6/20 0.48
SIGMAR1 known ✓ Q99720 4/20 0.48
DRD2 known ✓ P14416 4/20 0.48
DRD4 known ✓ P21917 4/20 0.44
HTR2A known ✓ P28223 4/20 0.44
HTR7 known ✓ P34969 4/20 0.44
CACNA1F known ✓ O60840 3/20 0.44
HRH2 known ✓ P25021 3/20 0.44
ADRA1D known ✓ P25100 3/20 0.44
ADRA1A known ✓ P35348 3/20 0.44
HRH1 known ✓ P35367 3/20 0.44
ADRA1B known ✓ P35368 3/20 0.44
OPRM1 known ✓ P35372 3/20 0.44
OPRK1 known ✓ P41145 3/20 0.44
HTR6 known ✓ P50406 3/20 0.44
CACNA1D known ✓ Q01668 3/20 0.44
SLC6A3 known ✓ Q01959 3/20 0.44
CACNA1S known ✓ Q13698 3/20 0.44
CACNA1C known ✓ Q13936 3/20 0.44
HTR2C known ✓ P28335 3/20 0.44

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
SCHEMBL7771951 0.99 DRD3 (0.49) DRD3SIGMAR1DRD2LMNAMAPT
SCHEMBL7773593 0.91 DRD3 (0.51) DRD3SIGMAR1DRD2LMNAMAPT
Hydrochloric Acid SCHEMBL7794406 0.88 LMNA (0.51) DRD3SIGMAR1DRD2LMNAMAPT
SCHEMBL7794410 0.87 LMNA (0.52) DRD3SIGMAR1DRD2LMNAMAPT
Hydrochloric Acid SCHEMBL6674732 0.87 DRD3 (0.45) DRD3SIGMAR1DRD2LMNAMAPT
Hydrochloric Acid SCHEMBL7796036 0.86 LMNA (0.52) DRD3SIGMAR1DRD2LMNAMAPT
Hydrochloric Acid SCHEMBL7920769 0.86 LMNA (0.52) DRD3SIGMAR1DRD2LMNAMAPT
SCHEMBL6672744 0.86 DRD3 (0.46) DRD3SIGMAR1DRD2LMNAMAPT
SCHEMBL7772096 0.85 SLC6A3 (0.58) DRD3SIGMAR1DRD2LMNAMAPT
Hydrochloric Acid SCHEMBL7794427 0.85 LMNA (0.51) DRD3SIGMAR1DRD2LMNAMAPT

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-0673368-B1 NOVEL NICOTINIC ACID ESTERS BIOVITRUM AB (SE) 2001-11-28 EP claimed
EP-0673368-B1 NOVEL NICOTINIC ACID ESTERS BIOVITRUM AB (SE) 2001-11-28 EP disclosed