Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28057449

C[C@H](C(=O)c1ccccc1)N1CCCC1.Cl

nearest known ligand 0.65

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 7/20 0.65
SLC6A3 known ✓ Q01959 7/20 0.65
CHRNB4 known ✓ P30926 6/20 0.65
CHRNA3 known ✓ P32297 6/20 0.65
CHRNA1 known ✓ P02708 4/20 0.65
CHRNG known ✓ P07510 4/20 0.65
CHRNB1 known ✓ P11230 4/20 0.65
CHRND known ✓ Q07001 4/20 0.65
GAA known ✓ P10253 2/20 0.63
SLC6A4 known ✓ P31645 1/20 0.63
MAOB known ✓ P27338 1/20 0.54
CHRNB2 P17787 5/20 0.65
CHRNA4 P43681 5/20 0.65
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 1/20 0.63
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 1/20 0.54

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 SCHEMBL22614730 1.00 SLC6A2 (0.65) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL10728832 0.98 SLC6A2 (0.68) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL11037118 0.98 SLC6A2 (0.67) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL28360223 0.98 SLC6A2 (0.67) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL1072701 0.96 SLC6A2 (0.69) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Bromide SCHEMBL13729160 0.95 SLC6A2 (0.68) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL27492948 0.85 OPRD1 (0.52) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL10943241 0.85 ALDH1A1 (0.65) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL17645636 0.84 SLC6A3 (0.63) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL9596538 0.83 SLC6A3 (0.60) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2

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
CN-105523984-A Preparation method of (1R,2S)-1-phenyl-2-(1-pyrrolidyl)-1-propanol CHIFENG ARKER PHARMACEUTICAL TECH CO LTD 2016-04-27 CN claimed
CN-105523984-A Preparation method of (1R,2S)-1-phenyl-2-(1-pyrrolidyl)-1-propanol CHIFENG ARKER PHARMACEUTICAL TECH CO LTD 2016-04-27 CN disclosed