SCHEMBL2717889

SCHEMBL2717889

CC(C)(C)c1cc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.45
▸ TRPA1 O75762 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ TRPM8 Q7Z2W7 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL2716871 0.89 NPSR1 (0.47) TRPV1TRPA1KCNH2TRPM8NPSR1
SCHEMBL2719291 0.89 CNR2 (0.41) TRPV1TRPA1KCNH2TRPM8NPSR1
SCHEMBL2718034 0.87 CNR2 (0.44) TRPV1TRPA1KCNH2TRPM8NPSR1
SCHEMBL2717511 0.87 PI4KB (0.53) TRPV1NPSR1HSD17B10
SCHEMBL2718774 0.86 CNR2 (0.43) TRPV1TRPA1KCNH2TRPM8
SCHEMBL2383318 0.86 GAA (0.51) TRPV1
SCHEMBL2384052 0.86 LIMK2 (0.54) HSD17B10
SCHEMBL2385769 0.85 PDGFRB (0.44) TRPV1NPSR1HSD17B10
SCHEMBL2730160 0.85 TRPV1 (0.45) TRPV1TRPA1KCNH2TRPM8NPSR1
SCHEMBL2720307 0.85 TRPV1 (0.42) TRPV1TRPA1KCNH2TRPM8NPSR1

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 3 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
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO disclosed
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