SCHEMBL3787648

SCHEMBL3787648

CC(C)[C@H](CO)NCc1c(C(=O)N[C@H]2CCC[C@@H](O)C2)noc1-c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.80
KCNH2 Q12809 3/20 0.67

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
SCHEMBL766641 1.00 TRPV1 (0.80) TRPV1KCNH2
SCHEMBL766640 1.00 TRPV1 (0.80) TRPV1KCNH2
SCHEMBL13257578 0.90 TRPV1 (0.79) TRPV1KCNH2
SCHEMBL766808 0.90 TRPV1 (0.79) TRPV1KCNH2
SCHEMBL766809 0.90 TRPV1 (0.79) TRPV1KCNH2
SCHEMBL766751 0.89 TRPV1 (1.00) TRPV1KCNH2
SCHEMBL766715 0.89 TRPV1 (1.00) TRPV1KCNH2
SCHEMBL766716 0.89 TRPV1 (1.00) TRPV1KCNH2
SCHEMBL766720 0.87 TRPV1 (0.79) TRPV1KCNH2
SCHEMBL766497 0.87 TRPV1 (0.79) 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-2393789-A1 ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2011-12-14 EP disclosed
WO-2010091009-A1 ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 WO disclosed