Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9529379

C#CCNCC(c1ccccc1)c1ccc(Cl)cc1.Cl

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
SLC6A2 known ✓ P23975 4/20 0.44
SLC6A4 known ✓ P31645 4/20 0.44
SLC6A3 known ✓ Q01959 2/20 0.44
GRIN1 known ✓ Q05586 2/20 0.42
GRIN2A known ✓ Q12879 2/20 0.42
MAOA known ✓ P21397 3/20 0.41
MAOB known ✓ P27338 3/20 0.41
CHRNA7 known ✓ P36544 1/20 0.41
CHRM2 known ✓ P08172 1/20 0.36
HTR1A known ✓ P08908 1/20 0.36
ADRA2A known ✓ P08913 1/20 0.36
CHRM1 known ✓ P11229 1/20 0.36
DRD1 known ✓ P21728 1/20 0.36
ADRA1A known ✓ P35348 1/20 0.36
DRD3 known ✓ P35462 1/20 0.36
KCNH2 known ✓ Q12809 1/20 0.36
HRH3 known ✓ Q9Y5N1 1/20 0.36
P2RX7 Q99572 1/20 0.45
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41

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
SCHEMBL3172135 0.88 GRIN1 (0.52) GRIN1GRIN2AMAOAMAOBKDM1A
Hydrochloric Acid SCHEMBL9528205 0.84 PYCR1 (0.49) SLC6A2SLC6A4SLC6A3GRIN1GRIN2A
Hydrochloric Acid SCHEMBL9529487 0.84 PYCR1 (0.49) SLC6A2SLC6A4SLC6A3GRIN1GRIN2A
Hydrochloric Acid SCHEMBL9529870 0.84 GRIN1 (0.42) SLC6A2SLC6A4GRIN1GRIN2AMAOA
Hydrochloric Acid SCHEMBL9530903 0.84 PYCR1 (0.49) SLC6A2SLC6A4SLC6A3GRIN1GRIN2A
Hydrochloric Acid SCHEMBL3650965 0.76 TAAR1 (0.58) MAOAMAOBKDM1ACYP2D6CYP1A2
SCHEMBL5794231 0.74 TAAR1 (0.55) MAOAMAOBKDM1ACYP2D6CYP1A2
SCHEMBL20525309 0.73 GBA1 (0.45) MAOAMAOBKDM1ACYP2D6CYP1A2
SCHEMBL17881888 0.73 GBA1 (0.45) MAOAMAOBKDM1ACYP2D6CYP1A2
Hydrochloric Acid SCHEMBL8976106 0.71 CYP1A2 (0.50) SLC6A2SLC6A4SLC6A3MAOAMAOB

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-0573548-A1 NEUROPROTECTANT AGENTS. AMERICAN HOME PROD (US) 1993-12-15 EP disclosed
WO-1992014813-A1 NEUROPROTECTANT AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-03 WO disclosed