SCHEMBL4376133

SCHEMBL4376133

OCc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
KCNH2 Q12809 2/20 0.39
CYSLTR1 Q9Y271 1/20 0.38
HTR2A P28223 3/20 0.37
MCHR1 Q99705 3/20 0.37
CHRM1 P11229 1/20 0.37
FFAR1 O14842 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4386689 0.85 LMNA (0.45) HRH3KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL4390109 0.85 KCNH2 (0.39) HRH3KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL7976959 0.83 ITGB3 (0.36) HRH3KCNH2FFAR1
SCHEMBL4376189 0.82 KCNH2 (0.37) HRH3KCNH2FFAR1CYP3A4CYP2D6
SCHEMBL7991257 0.82 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C9
SCHEMBL4378557 0.82 POLB (0.42) HRH3FFAR1CYP2D6
SCHEMBL4379129 0.82 FFAR1 (0.39) FFAR1CYP2D6
SCHEMBL7961327 0.81 RAB9A (0.43) HRH3KCNH2HTR2AMCHR1
SCHEMBL7987297 0.81 HRH3 (0.54) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL4380966 0.81 NQO1 (0.45) HRH3KCNH2CYP3A4CYP2D6CYP2C9

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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
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 claimed
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
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP 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