Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7176192

CCCCc1cccc(CCCC)c1N=C(C)c1cc(C)cc(C(C)=Nc2c(CCCC)cccc2CCCC)n1.[Cl-].[Cl-].[Cl-].[Nd+3]

nearest known ligand 0.33

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 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.33
KCNH2 Q12809 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TYR P14679 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ELANE P08246 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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 SCHEMBL7183136 0.97 TLR8 (0.33) TLR8KCNH2NOS2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7179297 0.97 TLR8 (0.33) TLR8KCNH2NOS2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7181174 0.97 TLR8 (0.33) TLR8KCNH2NOS2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7176568 0.97 TLR8 (0.33) TLR8KCNH2NOS2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7182526 0.97 TLR8 (0.33) TLR8KCNH2NOS2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7185467 0.97 TLR8 (0.33) TLR8KCNH2NOS2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7183700 0.92 GRM5 (0.35) NOS2ALDH1A1HTTELANE
Hydrochloric Acid SCHEMBL7177918 0.91 NOS2 (0.36) TLR8NOS2ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL7175253 0.90 TLR8 (0.33) TLR8KCNH2NOS2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7182234 0.89 GRM5 (0.35) NOS2ALDH1A1HTTELANE

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