SCHEMBL2718034

SCHEMBL2718034

CC(C)(C)c1cc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)on1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.44
▸ TRPA1 O75762 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RBP4 P02753 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL2718710 0.87 CNR2 (0.59) CNR2TRPA1KCNH2TRPM8TRPV1
SCHEMBL2717889 0.87 TRPV1 (0.45) TRPA1KCNH2TRPM8TRPV1NPSR1
SCHEMBL2719291 0.86 CNR2 (0.41) CNR2TRPA1KCNH2TRPM8TRPV1
SCHEMBL2718774 0.85 CNR2 (0.43) CNR2TRPA1KCNH2TRPM8TRPV1
SCHEMBL2730160 0.84 TRPV1 (0.45) CNR2TRPA1KCNH2TRPM8TRPV1
SCHEMBL2718886 0.84 CNR2 (0.40) CNR2TRPA1KCNH2TRPM8TRPV1
SCHEMBL2716167 0.83 GAA (0.41) CNR2TRPA1KCNH2TRPM8TRPV1
SCHEMBL2718449 0.83 CNR2 (0.40) CNR2TRPA1KCNH2TRPM8TRPV1
SCHEMBL2717947 0.82 MEN1 (0.41) CNR2TRPA1KCNH2TRPM8TRPV1
SCHEMBL2384737 0.82 MEN1 (0.42) TRPA1KCNH2TRPM8TRPV1MEN1

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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