SCHEMBL2716642

SCHEMBL2716642

CCC(C)(O)c1cc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ TRPV1 Q8NER1 6/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ RBP4 P02753 1/20 0.40

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
SCHEMBL2717862 0.93 NPSR1 (0.46) NPSR1HSD17B10MAPTTRPV1TRPA1
SCHEMBL2716871 0.93 NPSR1 (0.47) NPSR1HSD17B10MAPTTRPV1TRPA1
SCHEMBL2716429 0.90 NPSR1 (0.53) NPSR1HSD17B10TRPV1CA12CA1
SCHEMBL2384960 0.88 MAPT (0.45) NPSR1HSD17B10MAPTTRPV1
SCHEMBL2720307 0.87 TRPV1 (0.42) NPSR1HSD17B10MAPTTRPV1TRPA1
SCHEMBL2383256 0.84 TRPV1 (0.49) TRPV1CA12CA1CA2CA9
SCHEMBL2717524 0.84 TRPV1 (0.42) NPSR1HSD17B10MAPTTRPV1TRPA1
SCHEMBL2717889 0.83 TRPV1 (0.45) NPSR1HSD17B10TRPV1TRPA1KCNH2
SCHEMBL2383066 0.83 TRPV1 (0.52) NPSR1HSD17B10MAPTTRPV1
SCHEMBL2719037 0.83 RBP4 (0.44) NPSR1HSD17B10TRPV1TRPA1KCNH2

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