SCHEMBL6960095

SCHEMBL6960095

O=C1NC(=O)C(Cc2cnc3cc(OCc4ccc5ccccc5n4)ccc3c2)S1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.51
PPARG P37231 6/20 0.48
CYSLTR1 Q9Y271 4/20 0.47
GPBAR1 Q8TDU6 3/20 0.47
FFAR1 O14842 7/20 0.47
PPARA Q07869 5/20 0.47
CYP3A4 P08684 1/20 0.46
RXRA P19793 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.45

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
SCHEMBL6958784 0.88 FFAR1 (0.58) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL6955783 0.88 FFAR1 (0.48) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL29602962 0.87 FFAR1 (0.59) PPARGFFAR1PPARACYP3A4
SCHEMBL377641 0.87 FFAR1 (0.59) PPARGFFAR1PPARACYP3A4
SCHEMBL6954874 0.85 PPARG (0.63) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL6957024 0.84 PPARG (0.49) PPARGFFAR1PPARA
SCHEMBL6956120 0.84 FFAR1 (0.63) PPARGFFAR1PPARA
SCHEMBL6959041 0.83 FFAR1 (0.47) PPARGFFAR1PPARA
SCHEMBL6966643 0.83 FFAR1 (0.52) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL6964331 0.83 PPARG (0.46) PDE10APPARGFFAR1PPARA

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