SCHEMBL15081052

SCHEMBL15081052

COC[C@H](O)c1cnc(C2(F)CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.81

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
SCHEMBL13781716 0.91 TRPV1 (0.85) TRPV1
SCHEMBL4293326 0.90 TRPV1 (1.00) TRPV1
SCHEMBL10308091 0.90 TRPV1 (1.00) TRPV1
SCHEMBL4293322 0.90 TRPV1 (1.00) TRPV1
SCHEMBL19819838 0.84 TRPV1 (0.80) TRPV1
SCHEMBL10308077 0.81 TRPV1 (1.00) TRPV1
SCHEMBL10308161 0.81 TRPV1 (1.00) TRPV1
SCHEMBL19818149 0.81 TRPV1 (0.81) TRPV1
SCHEMBL19818135 0.81 TRPV1 (0.81) TRPV1
SCHEMBL19818132 0.81 TRPV1 (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476277-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2013-07-02 US disclosed