Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7180156

CCCCc1cc(C)cc(CCCC)c1N=Cc1cccc(C=Nc2c(CCCC)cc(C)cc2CCCC)n1.[Cl-].[Cl-].[Cl-].[V+3]

nearest known ligand 0.34

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 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.34
NOS2 P35228 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.31
TLR7 Q9NYK1 1/20 0.30

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 SCHEMBL7176711 0.97 TLR8 (0.34) TLR8NOS2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7177962 0.97 TLR8 (0.34) TLR8NOS2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7181320 0.97 TLR8 (0.34) TLR8NOS2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7176690 0.97 TLR8 (0.34) TLR8NOS2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7185142 0.97 TLR8 (0.34) TLR8NOS2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7183710 0.97 TLR8 (0.34) TLR8NOS2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7176267 0.92 GRM5 (0.33) NOS2
Hydrochloric Acid SCHEMBL7185468 0.90 NOS2 (0.36) TLR8NOS2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7176465 0.89 TLR8 (0.34) TLR8CYP3A4CYP2D6CYP2C9KCNH2
Hydrochloric Acid SCHEMBL7176623 0.89 GRM5 (0.33) NOS2

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
EP-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 EP disclosed