SCHEMBL8798267

SCHEMBL8798267

O=C1NC(=O)C(Cc2ccc(OCCCN3COc4c(OCc5ccccc5)cccc4C3=O)cc2)S1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.51
HRH3 Q9Y5N1 1/20 0.50
PPARA Q07869 3/20 0.48
PPARG P37231 4/20 0.46
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42

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
SCHEMBL8796902 0.89 HRH3 (0.52) FFAR1HRH3PPARAPPARG
SCHEMBL8798059 0.87 HRH3 (0.49) FFAR1HRH3PPARAPPARG
SCHEMBL8796845 0.85 FFAR1 (0.49) FFAR1HRH3PPARAPPARG
SCHEMBL8798275 0.85 HRH3 (0.42) FFAR1HRH3CYSLTR2CYSLTR1
SCHEMBL8798096 0.84 HRH3 (0.57) FFAR1HRH3PPARAPPARG
SCHEMBL8797554 0.80 FFAR1 (0.55) FFAR1HRH3PPARAPPARG
SCHEMBL6953746 0.79 FFAR1 (0.55) FFAR1HRH3PPARAPPARG
SCHEMBL31486881 0.79 FFAR1 (0.55) FFAR1HRH3PPARAPPARG
SCHEMBL8796860 0.79 HRH3 (0.48) FFAR1HRH3PPARAPPARG
SCHEMBL8797164 0.79 HRH3 (0.47) FFAR1HRH3PPARAPPARG

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-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed