SCHEMBL2720162

SCHEMBL2720162

CC(C)c1cc(NC(=O)N2CCN(c3nccnc3OCc3ccnc(N)n3)CC2)nc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TRPV1 Q8NER1 4/20 0.37
▸ RBP4 P02753 1/20 0.35
▸ P2RY12 Q9H244 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL2715967 0.90 NPSR1 (0.41) NPSR1HSD17B10TRPV1RBP4GAA
SCHEMBL2385038 0.81 TRPV1 (0.48) NPSR1HSD17B10TRPV1
SCHEMBL2716212 0.80 CNR2 (0.39) TRPV1RBP4P2RY12
SCHEMBL2383249 0.79 TRPV1 (0.55) NPSR1HSD17B10TRPV1
SCHEMBL2716221 0.79 CNR2 (0.37) HSD17B10TRPV1
SCHEMBL2381703 0.79 PANK3 (0.43) TRPV1P2RY12
SCHEMBL2716168 0.79 TRPV1 (0.42) NPSR1HSD17B10TRPV1RBP4GAA
SCHEMBL2717084 0.79 MEN1 (0.38) NPSR1HSD17B10TRPV1RBP4
SCHEMBL4561884 0.79 RBP4 (0.40) TRPV1RBP4
SCHEMBL2716167 0.78 GAA (0.41) NPSR1HSD17B10TRPV1RBP4GAA

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
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