Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9760407

CCCSc1ccccc1N1CCN(CCCCn2c(=O)[nH]c3ccc(C)cc3c2=O)CC1.Cl

nearest known ligand 0.49

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
ADRA2A known ✓ P08913 2/20 0.49
ADRA2B known ✓ P18089 2/20 0.49
DRD2 known ✓ P14416 2/20 0.49
DRD3 known ✓ P35462 2/20 0.49
ADRB2 known ✓ P07550 1/20 0.47
ADRA2C known ✓ P18825 1/20 0.47
HTR7 known ✓ P34969 4/20 0.47
ADRA1D known ✓ P25100 1/20 0.46
ADRA1A known ✓ P35348 1/20 0.46
ADRA1B known ✓ P35368 1/20 0.46
HTR1A known ✓ P08908 1/20 0.44
LMNA P02545 3/20 0.49
USP2 O75604 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
DDR1 Q08345 1/20 0.46

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 SCHEMBL9759793 0.91 TP53 (0.48) LMNAADRA2AADRA2BDRD2DRD3
Tioperidone SCHEMBL122658 0.90 ADRA2A (0.57) LMNAUSP2SMN1; SMN2ALOX15TSHR
Hydrochloric Acid SCHEMBL9760154 0.89 ADRA2A (0.56) LMNAUSP2SMN1; SMN2ALOX15TSHR
Tioperidone SCHEMBL29385311 0.89 ADRA2A (0.58) LMNAUSP2SMN1; SMN2ALOX15TSHR
SCHEMBL9759789 0.88 ADRA2A (0.57) LMNAUSP2SMN1; SMN2ALOX15TSHR
Hydrochloric Acid SCHEMBL9760181 0.86 ADRA2A (0.56) LMNAUSP2SMN1; SMN2ALOX15TSHR
Hydrochloric Acid SCHEMBL9760163 0.85 USP2 (0.52) LMNAUSP2SMN1; SMN2TSHRADRA2A
Hydrochloric Acid SCHEMBL9760160 0.83 ADRA2A (0.59) LMNAUSP2SMN1; SMN2ALOX15TSHR
SCHEMBL9447015 0.79 ADRA2A (0.59) ALOX15ADRA2AADRA2BDRD2DRD3
Hydrochloric Acid SCHEMBL9759559 0.77 ADRA2A (0.58) LMNAUSP2SMN1; SMN2ALOX15TSHR

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
WO-1991012006-A2 TUMOR CELL SENSITIZATION METHOD WARNER-LAMBERT COMPANY (US) 1991-08-22 WO disclosed