SCHEMBL2720307

SCHEMBL2720307

CCC(C)(O)c1cccc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KIT P10721 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ LIMK2 P53671 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL2717524 0.93 TRPV1 (0.42) TRPV1TRPA1KCNH2TRPM8NPSR1
SCHEMBL2381414 0.89 TRPV1 (0.54) TRPV1NPSR1HSD17B10KITMAPT
SCHEMBL2716642 0.87 NPSR1 (0.44) TRPV1TRPA1KCNH2TRPM8NPSR1
SCHEMBL2385769 0.87 PDGFRB (0.44) TRPV1NPSR1HSD17B10KITMAPT
SCHEMBL2717511 0.86 PI4KB (0.53) TRPV1NPSR1HSD17B10MAPTLMNA
SCHEMBL2384052 0.86 LIMK2 (0.54) HSD17B10KITMAPTLMNALIMK2
SCHEMBL2716171 0.85 PDGFRB (0.45) TRPV1NPSR1HSD17B10KITMAPT
SCHEMBL2717889 0.85 TRPV1 (0.45) TRPV1TRPA1KCNH2TRPM8NPSR1
SCHEMBL2383066 0.85 TRPV1 (0.52) TRPV1NPSR1HSD17B10MAPTPI4KB
SCHEMBL2383895 0.85 TRPV1 (0.52) TRPV1NPSR1HSD17B10PI4KBLIMK2

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 2 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
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