SCHEMBL4384959

SCHEMBL4384959

CC(CCCc1ccc(OCCCc2c[nH]cn2)cc1)=NO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4390063 0.96 FFAR1 (0.38) FFAR1PPARGPPARAALDH1A1CYP3A4
SCHEMBL4378233 0.94 FFAR1 (0.39) FFAR1ALDH1A1
SCHEMBL4394354 0.88 HRH3 (0.38) CYP2D6KCNH2
SCHEMBL4394357 0.88 HRH3 (0.38) CYP2D6KCNH2
SCHEMBL4383472 0.85 ALDH1A1 (0.46) FFAR1PPARGPPARAALDH1A1CYP4F2
SCHEMBL4383862 0.82 ALDH1A1 (0.46) FFAR1PPARGPPARAALDH1A1
SCHEMBL4378585 0.81 ALDH1A1 (0.53) FFAR1ALDH1A1CYP3A4
SCHEMBL7991257 0.81 CYP3A4 (0.45) ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL647793 0.80 FURIN (0.43) KCNH2
SCHEMBL647792 0.80 FURIN (0.43) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed