SCHEMBL2718449

SCHEMBL2718449

CN(C)c1nc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)cc(C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.40
▸ TRPV1 Q8NER1 5/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ TLR9 Q9NR96 2/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RBP4 P02753 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2718774 0.90 CNR2 (0.43) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2718886 0.89 CNR2 (0.40) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2716167 0.88 GAA (0.41) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2719291 0.88 CNR2 (0.41) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2730160 0.84 TRPV1 (0.45) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2717889 0.84 TRPV1 (0.45) TRPV1TRPA1KCNH2TRPM8HSD17B10
SCHEMBL2730292 0.84 TRPV1 (0.43) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2718710 0.83 CNR2 (0.59) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2718034 0.83 CNR2 (0.44) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2716168 0.82 TRPV1 (0.42) TRPV1RBP4GAAHSD17B10NPSR1

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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