SCHEMBL2716701

SCHEMBL2716701

Nc1nccc(COc2ncccc2N2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.49
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDGFRB P09619 1/20 0.43
NR2E1 Q9Y466 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
SCHEMBL2386092 0.89 TRPV1 (0.47) TRPV1NPSR1KDM4EMAPTHSD17B10
SCHEMBL2385038 0.88 TRPV1 (0.48) TRPV1NPSR1KDM4EMAPTHSD17B10
SCHEMBL2383625 0.87 TRPV1 (0.51) TRPV1NPSR1HSD17B10
SCHEMBL2384368 0.86 TRPV1 (0.45) TRPV1NPSR1MAPTHSD17B10NR2E1
SCHEMBL2385067 0.85 MAPT (0.45) TRPV1NPSR1KDM4EMAPTPDGFRB
SCHEMBL2385265 0.84 TRPV1 (0.45) TRPV1NPSR1KDM4EMAPTHSD17B10
SCHEMBL2384448 0.83 TRPV1 (0.46) TRPV1NPSR1KDM4EMAPTHSD17B10
SCHEMBL2383249 0.83 TRPV1 (0.55) TRPV1NPSR1KDM4EMAPTHSD17B10
SCHEMBL2384340 0.83 MAPT (0.45) TRPV1NPSR1KDM4EMAPTHSD17B10
SCHEMBL2383828 0.82 TRPV1 (0.48) TRPV1NPSR1HSD17B10

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
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 WO disclosed