SCHEMBL13257563

SCHEMBL13257563

CNCc1c(C(=O)NC2CCCC2)noc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.82
KCNH2 Q12809 3/20 0.68

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
SCHEMBL766773 0.90 TRPV1 (1.00) TRPV1KCNH2
SCHEMBL766579 0.90 TRPV1 (0.84) TRPV1KCNH2
SCHEMBL766445 0.90 TRPV1 (0.82) TRPV1KCNH2
SCHEMBL1686372 0.90 TRPV1 (0.82) TRPV1KCNH2
SCHEMBL766495 0.89 TRPV1 (1.00) TRPV1KCNH2
SCHEMBL766606 0.88 TRPV1 (0.80) TRPV1KCNH2
SCHEMBL766804 0.88 TRPV1 (0.83) TRPV1KCNH2
SCHEMBL1686284 0.88 TRPV1 (0.79) TRPV1KCNH2
SCHEMBL766714 0.88 TRPV1 (0.84) TRPV1KCNH2
SCHEMBL766709 0.88 TRPV1 (0.88) TRPV1KCNH2

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-2010091009-A1 ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 WO disclosed