Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28440131

CCC(N[C@H](C)c1ccccc1)c1ccc(OC)c(S(N)(=O)=O)c1.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
▸ CA2 known ✓ P00918 2/20 0.45
▸ ACHE known ✓ P22303 2/20 0.45
▸ ADRA1A known ✓ P35348 7/20 0.44
▸ ADRA1D known ✓ P25100 6/20 0.44
▸ ADRA1B known ✓ P35368 6/20 0.44
▸ ADRB2 known ✓ P07550 2/20 0.44
▸ ADRB1 known ✓ P08588 2/20 0.44
▸ HTR1A known ✓ P08908 2/20 0.44
▸ ADRA2A known ✓ P08913 2/20 0.44
▸ DRD2 known ✓ P14416 2/20 0.44
▸ ADRA2B known ✓ P18089 2/20 0.44
▸ ADRA2C known ✓ P18825 2/20 0.44
▸ HTR2A known ✓ P28223 2/20 0.44
▸ DRD3 known ✓ P35462 2/20 0.44
▸ HTR2B known ✓ P41595 2/20 0.44
▸ KCNH2 known ✓ Q12809 2/20 0.44
▸ HTR7 known ✓ P34969 1/20 0.44
▸ OPRM1 known ✓ P35372 1/20 0.44
▸ CASR known ✓ P41180 2/20 0.40
▸ GAA known ✓ P10253 1/20 0.40

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
SCHEMBL28567078 0.87 CA1 (0.42) CA1CA2ACHEPKMALDH1A1
Hydrochloric Acid SCHEMBL28440129 0.81 ADRA1D (0.58) CA1CA2ACHEADRA1AADRA1D
Hydrochloric Acid SCHEMBL9416386 0.81 ADRA1D (0.58) CA1CA2ACHEADRA1AADRA1D
SCHEMBL5885695 0.79 ADRA1D (0.59) CA1CA2ACHEADRA1AADRA1D
SCHEMBL28441227 0.79 ADRA1D (0.59) CA1CA2ACHEADRA1AADRA1D
SCHEMBL28441225 0.79 ADRA1D (0.59) CA1CA2ACHEADRA1AADRA1D
SCHEMBL13984210 0.79 ADRA1D (0.59) CA1CA2ACHEADRA1AADRA1D
SCHEMBL5885698 0.79 ADRA1D (0.59) CA1CA2ACHEADRA1AADRA1D
SCHEMBL30063021 0.79 ADRA1D (0.59) CA1CA2ACHEADRA1AADRA1D
SCHEMBL10642171 0.78 PKM (0.51) CA1CA2ACHEADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111413435-B Detection method of tamsulosin hydrochloride intermediate 珠海润都制药股份有限公司 2022-07-08 — — CN claimed
CN-111413435-A Detection method of tamsulosin hydrochloride intermediate 珠海润都制药股份有限公司 2020-07-14 — — CN claimed
CN-111413435-B Detection method of tamsulosin hydrochloride intermediate 珠海润都制药股份有限公司 2022-07-08 — — CN disclosed
CN-112824378-A Preparation method of tamsulosin hydrochloride 珠海润都制药股份有限公司 2021-05-21 — — CN disclosed
CN-111413435-A Detection method of tamsulosin hydrochloride intermediate 珠海润都制药股份有限公司 2020-07-14 — — CN disclosed
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