SCHEMBL3787376

SCHEMBL3787376

O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC2(CC1)CC(O)c1cccc(Br)c1O2

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 19/20 0.66
TRPV1 Q8NER1 4/20 0.65
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3787953 0.82 TRPM8 (0.46) TRPM8TRPV1
SCHEMBL13188844 0.79 TRPM8 (1.00) TRPM8TRPV1
SCHEMBL13188834 0.78 TRPM8 (0.74) TRPM8TRPV1
SCHEMBL13189138 0.77 TRPM8 (0.80) TRPM8TRPV1
SCHEMBL13188901 0.73 TRPM8 (1.00) TRPM8TRPV1
SCHEMBL3814047 0.73 TRPM8 (1.00) TRPM8TRPV1
SCHEMBL3789581 0.72 TRPM8 (0.53) TRPM8TRPV1
SCHEMBL13189135 0.69 TRPM8 (0.75) TRPM8TRPV1
SCHEMBL13188827 0.69 TRPM8 (1.00) TRPM8TRPV1
SCHEMBL13188131 0.69 TRPM8 (1.00) TRPM8TRPV1

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-2010103381-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES AS TRPM 8 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-16 WO disclosed