SCHEMBL6955421

SCHEMBL6955421

O=C1NC(=O)C(Cc2cnc3cc(OCc4ccccc4C(F)(F)F)ccc3c2)S1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.47
PPARA Q07869 6/20 0.45
PPARG P37231 7/20 0.44

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
SCHEMBL6964545 0.92 PPARG (0.46) FFAR1PPARAPPARG
SCHEMBL6963053 0.91 MAOB (0.43) FFAR1PPARAPPARG
SCHEMBL6966643 0.86 FFAR1 (0.52) FFAR1PPARAPPARG
SCHEMBL6959041 0.86 FFAR1 (0.47) FFAR1PPARAPPARG
SCHEMBL6961699 0.85 PPARG (0.41) FFAR1PPARAPPARG
SCHEMBL6957024 0.85 PPARG (0.49) FFAR1PPARAPPARG
SCHEMBL29602962 0.85 FFAR1 (0.59) FFAR1PPARAPPARG
SCHEMBL377641 0.85 FFAR1 (0.59) FFAR1PPARAPPARG
SCHEMBL6958537 0.85 PPARG (0.48) FFAR1PPARAPPARG
SCHEMBL6967270 0.85 CA2 (0.48) FFAR1PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed