Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11690802

CSc1ccc2c(c1)N(CCCN1CCC(OC(C)O)CC1)c1ccccc1S2.Cl

nearest known ligand 0.60

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 8/20 0.55
DRD2 known ✓ P14416 8/20 0.55
HRH1 known ✓ P35367 8/20 0.55
SLC6A2 known ✓ P23975 7/20 0.55
SLC6A4 known ✓ P31645 7/20 0.55
HTR1A known ✓ P08908 6/20 0.55
ADRA2A known ✓ P08913 6/20 0.55
ADRA1A known ✓ P35348 6/20 0.55
SLC6A3 known ✓ Q01959 6/20 0.55
KCNH2 known ✓ Q12809 6/20 0.55
ADRA2C known ✓ P18825 6/20 0.55
HTR2A known ✓ P28223 6/20 0.55
CHRM2 known ✓ P08172 5/20 0.55
CHRM1 known ✓ P11229 5/20 0.55
DRD1 known ✓ P21728 5/20 0.55
OPRM1 known ✓ P35372 4/20 0.55
PDE4D known ✓ Q08499 3/20 0.55
PTGS1 known ✓ P23219 2/20 0.55
HRH3 known ✓ Q9Y5N1 1/20 0.55
ADRA2B known ✓ P18089 5/20 0.53

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
SCHEMBL11684752 0.99 KDM1A (0.61) KDM1ADRD3DRD2HRH1SLC6A2
Hydrochloric Acid SCHEMBL11688568 0.89 KDM1A (0.66) KDM1ADRD3DRD2HRH1SLC6A2
SCHEMBL11686598 0.88 KDM1A (0.67) KDM1ADRD3DRD2HRH1SLC6A2
Hydrochloric Acid SCHEMBL11690805 0.86 KDM1A (0.56) KDM1ADRD3DRD2HRH1SLC6A2
SCHEMBL11686337 0.86 LMNA (0.67) KDM1ADRD3DRD2HRH1SLC6A2
SCHEMBL11684759 0.85 KDM1A (0.57) KDM1ADRD3DRD2HRH1SLC6A2
SCHEMBL11688782 0.85 KDM1A (0.62) KDM1ADRD3DRD2HRH1SLC6A2
Hydrochloric Acid SCHEMBL11686712 0.84 FPR2 (0.73) DRD3DRD2HRH1SLC6A2SLC6A4
SCHEMBL11687350 0.83 FPR2 (0.74) DRD3DRD2HRH1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11688019 0.83 KDM1A (0.60) KDM1AMEN1KMT2A

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-4018922-A NEUROLEPTICS, ANALGESICS, SPASMOLYTICS, AND ANTIHISTAMINES ROUSSEL-UCLAF (FR) 1977-04-19 US disclosed