Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8694267

Cl.NN1CCC[C@@H](Cc2ccccc2OC(F)(F)F)[C@H]1c1ccccc1

nearest known ligand 0.45

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
TACR1 known ✓ P25103 5/20 0.45
SLC6A3 known ✓ Q01959 6/20 0.38
DRD2 known ✓ P14416 4/20 0.38
SLC6A2 known ✓ P23975 3/20 0.38
KCNH2 known ✓ Q12809 3/20 0.38
SLC6A4 known ✓ P31645 2/20 0.38
DPP4 known ✓ P27487 1/20 0.36
SLC6A1 known ✓ P30531 2/20 0.35
HTR1A known ✓ P08908 1/20 0.35
HTR2A known ✓ P28223 1/20 0.35
HTR2C known ✓ P28335 1/20 0.35
HRH1 known ✓ P35367 1/20 0.35
HTR2B known ✓ P41595 1/20 0.35
SIGMAR1 known ✓ Q99720 1/20 0.35
SCN9A known ✓ Q15858 1/20 0.35
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP2J2 P51589 1/20 0.38
MEN1 O00255 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
SCHEMBL4908044 0.99 TACR1 (0.46) TACR1CYP2D6SLC6A3DRD2SLC6A2
Hydrochloric Acid SCHEMBL4914596 0.88 SLC6A2 (0.40) TACR1DRD2SLC6A2KCNH2SLC6A4
SCHEMBL6702675 0.86 SLC6A2 (0.40) TACR1DRD2SLC6A2SLC6A4SCN9A
Hydrochloric Acid SCHEMBL7837990 0.86 TACR1 (0.52) TACR1CYP2D6KCNH2MEN1KMT2A
SCHEMBL7256713 0.85 TACR1 (0.39) TACR1CYP2D6SLC6A3DRD2KCNH2
SCHEMBL27365754 0.84 TACR1 (0.53) TACR1CYP2D6MEN1KMT2A
SCHEMBL7257076 0.84 TACR1 (0.38) TACR1CYP2D6SLC6A3SLC6A2KCNH2
SCHEMBL6154253 0.84 TACR1 (0.39) TACR1CYP2D6SLC6A3KCNH2HTR1A
Hydrochloric Acid SCHEMBL4913478 0.83 TACR1 (0.53) TACR1CYP2D6SLC6A3KCNH2MEN1
Hydrochloric Acid SCHEMBL4919498 0.83 TACR1 (0.50) TACR1CYP2D6SLC6A3KCNH2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773450-A ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-06-30 US disclosed