SCHEMBL2790645

SCHEMBL2790645

O=C(NC1CCC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.81
KCNH2 Q12809 3/20 0.72

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
SCHEMBL1686226 1.00 TRPV1 (0.81) TRPV1KCNH2
SCHEMBL1686223 1.00 TRPV1 (0.81) TRPV1KCNH2
SCHEMBL1686225 1.00 TRPV1 (0.81) TRPV1KCNH2
SCHEMBL1686570 0.94 TRPV1 (0.81) TRPV1KCNH2
SCHEMBL1686381 0.90 TRPV1 (1.00) TRPV1
SCHEMBL1686276 0.90 TRPV1 (0.79) TRPV1KCNH2
SCHEMBL1686314 0.90 TRPV1 (1.00) TRPV1
SCHEMBL1686513 0.89 TRPV1 (1.00) TRPV1
SCHEMBL1686486 0.88 TRPV1 (0.80) TRPV1
SCHEMBL766739 0.88 TRPV1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185530-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. Organon (NL) 2010-05-19 EP disclosed
WO-2009016241-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. ORGANON (NL) 2009-02-05 WO disclosed