Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28370503

Cl.NC(CCOc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.58

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 11)

geneUniProtsupporting neighboursconfidence
HTR1B known ✓ P28222 11/20 0.58
KCNA3 known ✓ P22001 1/20 0.55
HTR1D known ✓ P28221 2/20 0.50
SLC6A4 known ✓ P31645 2/20 0.49
HRH1 known ✓ P35367 1/20 0.49
KMT2A Q03164 2/20 0.49
NR2E1 Q9Y466 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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 SCHEMBL28883801 1.00 HTR1B (0.58) HTR1BKCNA3HTR1DKMT2ANR2E1
SCHEMBL541161 0.98 HTR1B (0.60) HTR1BKCNA3HTR1DKMT2ANR2E1
SCHEMBL12071826 0.98 HTR1B (0.60) HTR1BKCNA3HTR1DKMT2ANR2E1
Oxalic Acid SCHEMBL9613804 0.91 KMT2A (0.60) HTR1BKCNA3HTR1DKMT2ANR2E1
SCHEMBL19686592 0.84 SCN4A (0.61) HTR1BKCNA3KMT2ANR2E1SLC6A4
Hydrochloric Acid SCHEMBL9613783 0.84 SLC6A4 (0.55) HTR1BKCNA3HTR1DKMT2ANR2E1
Isophthalic Acid SCHEMBL27276104 0.84 MRGPRX4 (0.56) HTR1BKCNA3KMT2AKDM4EALDH1A1
Oxalic Acid SCHEMBL9614031 0.83 KMT2A (0.52) HTR1BKCNA3KMT2ASLC6A4KDM4E
SCHEMBL6678503 0.81 KCNA3 (0.55) HTR1BKCNA3HTR1DKMT2ANR2E1
SCHEMBL9291677 0.81 KCNA3 (0.55) HTR1BKCNA3HTR1DKMT2ANR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018723-A Preparation and detection method of dapoxetine hydrochloride isomer impurity 盖天力医药控股集团制药股份有限公司 2020-04-17 CN claimed
CN-109503397-A A kind of synthetic method of Dapoxetine hydrochloride 华控创新(北京)药物研究院有限公司 2019-03-22 CN claimed
CN-116715593-A Optimized preparation method of dapoxetine hydrochloride and intermediate thereof 北京悦康科创医药科技股份有限公司 2023-09-08 CN disclosed
CN-111018723-A Preparation and detection method of dapoxetine hydrochloride isomer impurity 盖天力医药控股集团制药股份有限公司 2020-04-17 CN disclosed
CN-110903203-A Dapoxetine hydrochloride crystal and preparation method and application thereof 天津药物研究院有限公司 2020-03-24 CN disclosed
CN-109503397-A A kind of synthetic method of Dapoxetine hydrochloride 华控创新(北京)药物研究院有限公司 2019-03-22 CN disclosed