SCHEMBL6955783

SCHEMBL6955783

O=C1NC(=O)C(Cc2cnc3cc(OCc4ccccn4)ccc3c2)S1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.48
PPARG P37231 10/20 0.47
PPARA Q07869 6/20 0.46
CYP3A4 P08684 1/20 0.44
RXRA P19793 1/20 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
SCHEMBL8876329 0.89 FFAR1 (0.56) FFAR1PPARGPPARARXRA
SCHEMBL29602962 0.88 FFAR1 (0.59) FFAR1PPARGPPARACYP3A4
SCHEMBL377641 0.88 FFAR1 (0.59) FFAR1PPARGPPARACYP3A4
SCHEMBL6960095 0.88 PDE10A (0.51) FFAR1PPARGPPARACYP3A4RXRA
SCHEMBL6958784 0.87 FFAR1 (0.58) FFAR1PPARGPPARACYP3A4RXRA
SCHEMBL6954874 0.86 PPARG (0.63) FFAR1PPARGPPARACYP3A4RXRA
SCHEMBL6963885 0.85 FFAR1 (0.53) FFAR1PPARGPPARACYP3A4RXRA
SCHEMBL6964661 0.85 FFAR1 (0.51) FFAR1PPARGPPARACYP3A4RXRA
SCHEMBL6956120 0.85 FFAR1 (0.63) FFAR1PPARGPPARA
SCHEMBL6967270 0.84 CA2 (0.48) FFAR1PPARGPPARA

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