Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5616484

CC1=C(c2cccc3ccccc23)c2c3cccc2C1[Ti+2]C1C(C)=C(c2cccc4ccccc24)c2c(cccc21)CC3.[Cl-].[Cl-]

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 1/20 0.32
SLC6A3 known ✓ Q01959 1/20 0.32
HTR7 P34969 4/20 0.36
HTR1A P08908 3/20 0.36
DHFR P00374 1/20 0.35
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
BRD4 O60885 1/20 0.33
CYP2D6 P10635 2/20 0.32
SLC6A4 P31645 1/20 0.32
GSK3B P49841 1/20 0.32
ADK P55263 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31

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 SCHEMBL218124 0.82 HTR7 (0.36) HTR7HTR1ADHFRMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL218908 0.82 HTR7 (0.36) HTR7HTR1ADHFRMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL5616525 0.81 DHFR (0.35) DHFRMTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL7602061 0.80 HTR7 (0.39) HTR7HTR1ADHFRMTNR1AMTNR1B
SCHEMBL7602791 0.80 HTR7 (0.36) HTR7HTR1ADHFRMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL216589 0.74 HTR7 (0.34) HTR7HTR1ADHFRMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL219041 0.74 HTR7 (0.34) HTR7HTR1ADHFRMTNR1AMTNR1B
SCHEMBL796777 0.73 HTR7 (0.36) HTR7HTR1ADHFRCNR1CNR2
SCHEMBL796673 0.73 HTR7 (0.36) HTR7HTR1AMTNR1AMTNR1BCNR1
Hydrochloric Acid SCHEMBL8158808 0.72 HTR1A (0.35) HTR7HTR1A

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-2007023618-A1 HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-01 WO disclosed