SCHEMBL6961699

SCHEMBL6961699

O=C1NC(=O)C(Cc2cnc3cc(CCc4ccccc4C(F)(F)F)ccc3c2)S1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.41
FFAR1 O14842 7/20 0.40
NR3C2 P08235 1/20 0.39
CYP3A4 P08684 1/20 0.39
RXRA P19793 1/20 0.39
MAPT P10636 1/20 0.38
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
PPARA Q07869 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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 0.88 PPARG (0.46) PPARGFFAR1CYP3A4RXRAPPARA
SCHEMBL6955421 0.85 FFAR1 (0.47) PPARGFFAR1PPARA
SCHEMBL6963704 0.85 PPARG (0.49) PPARGFFAR1CYP3A4RXRAMAPT
SCHEMBL6961651 0.85 PPARG (0.40) PPARGFFAR1MAPT
SCHEMBL23578851 0.77 PPARG (0.50) PPARGFFAR1CYP3A4RXRAMAPT
SCHEMBL29764689 0.77 PPARG (0.50) PPARGFFAR1CYP3A4RXRAMAPT
SCHEMBL6963053 0.77 MAOB (0.43) PPARGFFAR1PPARA
SCHEMBL6964875 0.77 FFAR1 (0.61) PPARGFFAR1CYP3A4RXRAPPARA
SCHEMBL6954013 0.75 MAOA (0.48) PPARGFFAR1CYP3A4RXRAMAPT
SCHEMBL6964865 0.75 PPARG (0.49) PPARGFFAR1CYP3A4RXRAMAPT

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