SCHEMBL2718774

SCHEMBL2718774

Cc1nc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)cc(C(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.43
▸ TRPV1 Q8NER1 6/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ RBP4 P02753 2/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ GAA P10253 1/20 0.37

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
SCHEMBL2718886 0.91 CNR2 (0.40) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2718449 0.90 CNR2 (0.40) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2716167 0.90 GAA (0.41) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2719291 0.90 CNR2 (0.41) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2719728 0.89 MEN1 (0.40) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2716212 0.89 CNR2 (0.39) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2730292 0.88 TRPV1 (0.43) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL4561884 0.88 RBP4 (0.40) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2716341 0.87 RBP4 (0.39) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2730160 0.86 TRPV1 (0.45) CNR2TRPV1TRPA1KCNH2TRPM8

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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