SCHEMBL3624558

SCHEMBL3624558

OCC(O)c1cnc(C2(F)CCNCC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.52

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
SCHEMBL4289160 1.00 TRPV1 (0.52) TRPV1
SCHEMBL12073070 0.88 TRPV1 (0.54) TRPV1
Hydrochloric Acid SCHEMBL14935625 0.86 TRPV1 (0.53) TRPV1
SCHEMBL15035158 0.86 TRPV1 (0.41) TRPV1
SCHEMBL14935719 0.80 TRPV1 (0.49) TRPV1
SCHEMBL12073818 0.80 TRPV1 (0.49) TRPV1
SCHEMBL12074361 0.80 TRPV1 (0.49) TRPV1
SCHEMBL10308062 0.80 TRPV1 (0.55) TRPV1
SCHEMBL3659950 0.80 TRPV1 (0.66) TRPV1
SCHEMBL12074400 0.78 TRPV1 (0.39) 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-2142529-A2 TRPV1 ANTAGONISTS AND USES THEREOF Purdue Pharma LP (US) 2010-01-13 EP disclosed
WO-2008132600-A2 TRPV1 ANTAGONISTS AND USES THEREOF PURDUE PHARMA L.P. (DE) 2008-11-06 WO disclosed