SCHEMBL4561718

SCHEMBL4561718

CNc1nccc(COc2cccnc2N2CCN(C(=O)Nc3cccc(C(C)(C)C)c3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.48
▸ TRPA1 O75762 2/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ TRPM8 Q7Z2W7 1/20 0.48
▸ PDGFRB P09619 3/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL2720307 0.82 TRPV1 (0.42) TRPV1TRPA1KCNH2TRPM8NPSR1
SCHEMBL2381414 0.82 TRPV1 (0.54) TRPV1NPSR1HSD17B10LMNAMAPT
SCHEMBL2717524 0.81 TRPV1 (0.42) TRPV1TRPA1KCNH2TRPM8NPSR1
SCHEMBL12251034 0.81 PDGFRB (0.42) TRPV1PDGFRBNPSR1HSD17B10MAPT
SCHEMBL2717889 0.79 TRPV1 (0.45) TRPV1TRPA1KCNH2TRPM8NPSR1
SCHEMBL2730160 0.79 TRPV1 (0.45) TRPV1TRPA1KCNH2TRPM8PDGFRB
SCHEMBL2717511 0.79 PI4KB (0.53) TRPV1NPSR1HSD17B10LMNAMAPT
SCHEMBL2384052 0.78 LIMK2 (0.54) PDGFRBHSD17B10LMNAMAPT
SCHEMBL4561882 0.78 TRPV1 (0.47) TRPV1PDGFRBPDGFRA
SCHEMBL2385769 0.77 PDGFRB (0.44) TRPV1PDGFRBNPSR1HSD17B10MAPT

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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