SCHEMBL2717475

SCHEMBL2717475

CC(C)(C)c1cnnc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ CNR2 P34972 1/20 0.41
▸ PDGFRB P09619 2/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RBP4 P02753 2/20 0.37
▸ FAAH O00519 4/20 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
SCHEMBL2730160 0.91 TRPV1 (0.45) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL2730292 0.88 TRPV1 (0.43) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL2719291 0.84 CNR2 (0.41) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL2718710 0.84 CNR2 (0.59) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL2716592 0.84 TRPV1 (0.48) TRPV1RBP4
SCHEMBL2718774 0.84 CNR2 (0.43) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL2733022 0.83 TRPV1 (0.45) TRPV1TRPA1KCNH2TRPM8PDGFRB
SCHEMBL2717889 0.83 TRPV1 (0.45) TRPV1TRPA1KCNH2TRPM8
SCHEMBL2718886 0.82 CNR2 (0.40) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL2716167 0.82 GAA (0.41) TRPV1TRPA1KCNH2TRPM8CNR2

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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