SCHEMBL3803441

SCHEMBL3803441

CC(C)(C)c1ccc(N2CCC3(CC2)CC(O)c2cccc(Cl)c2O3)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 14/20 0.55
TRPV1 Q8NER1 4/20 0.49
HSD11B1 P28845 2/20 0.36
SCD O00767 1/20 0.35

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
SCHEMBL3794698 0.82 TRPM8 (0.70) TRPM8TRPV1HSD11B1
SCHEMBL3789378 0.81 TRPM8 (0.54) TRPM8TRPV1SCD
SCHEMBL3796860 0.81 TRPM8 (0.53) TRPM8TRPV1HSD11B1SCD
SCHEMBL3713990 0.77 TRPM8 (0.53) TRPM8TRPV1HSD11B1
SCHEMBL1691354 0.76 TRPM8 (0.59) TRPM8TRPV1
SCHEMBL537650 0.75 TRPM8 (0.64) TRPM8TRPV1SCD
SCHEMBL3794699 0.73 TRPM8 (0.50) TRPM8TRPV1
SCHEMBL13188827 0.71 TRPM8 (1.00) TRPM8TRPV1
SCHEMBL3789581 0.68 TRPM8 (0.53) TRPM8TRPV1HSD11B1SCD
SCHEMBL3795726 0.68 SMN1; SMN2 (0.47) 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