SCHEMBL2730292

SCHEMBL2730292

Cc1cc(C(C)(C)C)cc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 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
▸ PHGDH O43175 2/20 0.39
▸ PDGFRB P09619 3/20 0.39
▸ PDGFRA P16234 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RBP4 P02753 2/20 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
SCHEMBL2730160 0.91 TRPV1 (0.45) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL2719095 0.90 PHGDH (0.49) TRPV1PHGDHMEN1KMT2ARBP4
SCHEMBL2717475 0.88 TRPV1 (0.43) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL2718774 0.88 CNR2 (0.43) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL2716178 0.86 MEN1 (0.42) TRPV1MEN1KMT2ARBP4
SCHEMBL2715997 0.86 KMT2A (0.38) TRPV1PHGDHMEN1KMT2ARBP4
SCHEMBL2718710 0.85 CNR2 (0.59) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL2719291 0.85 CNR2 (0.41) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL2716592 0.85 TRPV1 (0.48) TRPV1PHGDHRBP4GAA
SCHEMBL2718886 0.85 CNR2 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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