SCHEMBL4378564

SCHEMBL4378564

O=C(C=Cc1ccccc1)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.66
HRH3 Q9Y5N1 1/20 0.66
BCHE P06276 14/20 0.58
ACHE P22303 13/20 0.58
PPARA Q07869 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
PPARG P37231 1/20 0.56

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
SCHEMBL7991232 1.00 HRH4 (0.66) HRH4HRH3BCHEACHEPPARA
SCHEMBL7987181 0.82 GAA (0.55) HRH4HRH3PPARAPPARG
SCHEMBL7987202 0.78 HRH2 (0.48) PPARAPPARG
SCHEMBL3000224 0.78 BCHE (0.72) BCHEACHEPPARAMAOAMAOB
SCHEMBL3001883 0.78 BCHE (0.72) BCHEACHEPPARAMAOAMAOB
SCHEMBL3000223 0.78 BCHE (0.72) BCHEACHEPPARAMAOAMAOB
SCHEMBL3001884 0.78 BCHE (0.72) BCHEACHEPPARAMAOAMAOB
SCHEMBL8934857 0.77 HRH3 (0.39) HRH4HRH3PPARAPPARG
SCHEMBL25193715 0.77 BCHE (0.70) BCHEACHEPPARAMAOAMAOB
SCHEMBL3001730 0.77 BCHE (0.71) BCHEACHEPPARAMAOAMAOB

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 5 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
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