SCHEMBL4435928

SCHEMBL4435928

CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cn1.CS(=O)(=O)Nc1ccc(CN)cc1F

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL4435931 1.00 TRPV1 (0.48) TRPV1
SCHEMBL3780053 0.96 TRPV1 (0.52) TRPV1
SCHEMBL3778347 0.96 TRPV1 (0.52) TRPV1
SCHEMBL3776096 0.88 TRPV1 (0.49) TRPV1
SCHEMBL3776094 0.88 TRPV1 (0.49) TRPV1
SCHEMBL13017909 0.88 TRPV1 (0.49) TRPV1
SCHEMBL13063002 0.85 TRPV1 (0.43) TRPV1
SCHEMBL3772539 0.85 ALDH1A1 (0.48) TRPV1
SCHEMBL3772541 0.85 ALDH1A1 (0.48) TRPV1
SCHEMBL3772495 0.85 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