SCHEMBL4788249

SCHEMBL4788249

CCOC(=O)n1ncc2c(NC(=O)NC3CC4(CCC4)Oc4ccc(F)cc43)cccc21

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.65
CYP3A4 P08684 3/20 0.52
CYP2D6 P10635 1/20 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
SCHEMBL4852416 0.95 TRPV1 (0.61) TRPV1CYP3A4CYP2D6
SCHEMBL4785862 0.91 TRPV1 (0.60) TRPV1
SCHEMBL4788004 0.89 TRPV1 (0.51) TRPV1CYP2D6
SCHEMBL4350468 0.89 TRPV1 (0.65) TRPV1CYP3A4CYP2D6
SCHEMBL4787861 0.89 TRPV1 (0.52) TRPV1CYP3A4CYP2D6
SCHEMBL4786870 0.88 TRPV1 (0.52) TRPV1CYP3A4CYP2D6
SCHEMBL4785062 0.87 TRPV1 (0.49) TRPV1CYP3A4CYP2D6
SCHEMBL4786173 0.87 TRPV1 (0.50) TRPV1
SCHEMBL4350187 0.87 TRPV1 (0.64) TRPV1CYP3A4CYP2D6
SCHEMBL3321372 0.87 TRPV1 (0.74) TRPV1CYP3A4CYP2D6

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
WO-2008110863-A1 INDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2008-09-18 WO disclosed