SCHEMBL3814047

SCHEMBL3814047

O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)CC(O)c1cccc(F)c1O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 17/20 1.00
TRPV1 Q8NER1 4/20 1.00
EPHX2 P34913 3/20 0.59

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
SCHEMBL13188844 0.90 TRPM8 (1.00) TRPM8TRPV1EPHX2
SCHEMBL13188131 0.90 TRPM8 (1.00) TRPM8TRPV1EPHX2
SCHEMBL13188901 0.88 TRPM8 (1.00) TRPM8TRPV1
SCHEMBL13188824 0.84 TRPM8 (0.81) TRPM8TRPV1EPHX2
SCHEMBL13189138 0.79 TRPM8 (0.80) TRPM8TRPV1EPHX2
SCHEMBL13188827 0.78 TRPM8 (1.00) TRPM8TRPV1
SCHEMBL13188834 0.76 TRPM8 (0.74) TRPM8TRPV1
SCHEMBL13188815 0.76 TRPM8 (1.00) TRPM8TRPV1
SCHEMBL13188132 0.76 TRPM8 (0.79) TRPM8TRPV1EPHX2
SCHEMBL13189005 0.76 TRPM8 (0.78) 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 2 patents. 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
WO-2010103381-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES AS TRPM 8 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-16 WO disclosed