SCHEMBL4553400

SCHEMBL4553400

CCCCc1nc(C(F)(F)F)ccc1C#CC(=O)NC(C)c1cc(F)c(NS(C)(=O)=O)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.53

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
SCHEMBL13018266 1.00 TRPV1 (0.53) TRPV1
SCHEMBL13018274 0.90 TRPV1 (0.63) TRPV1
SCHEMBL3787310 0.86 TRPV1 (0.49) TRPV1
SCHEMBL13063018 0.84 TRPV1 (0.52) TRPV1
SCHEMBL3771183 0.83 TRPV1 (0.46) TRPV1
SCHEMBL3782166 0.80 TRPV1 (0.49) TRPV1
SCHEMBL3782163 0.80 TRPV1 (0.49) TRPV1
SCHEMBL4434439 0.80 TRPV1 (0.49) TRPV1
SCHEMBL3782164 0.80 TRPV1 (0.49) TRPV1
SCHEMBL3786797 0.77 TRPV1 (0.44) TRPV1

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-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 WO disclosed