SCHEMBL3789378

SCHEMBL3789378

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 15/20 0.54
TRPV1 Q8NER1 4/20 0.51
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP2 P08253 3/20 0.37
MMP13 P45452 3/20 0.37
SCD O00767 1/20 0.36
MMP9 P14780 1/20 0.34

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
SCHEMBL13189005 0.84 TRPM8 (0.78) TRPM8TRPV1
SCHEMBL3794698 0.82 TRPM8 (0.70) TRPM8TRPV1
SCHEMBL3803441 0.81 TRPM8 (0.55) TRPM8TRPV1SCD
SCHEMBL3796860 0.78 TRPM8 (0.53) TRPM8TRPV1SCD
SCHEMBL537650 0.74 TRPM8 (0.64) TRPM8TRPV1SCD
SCHEMBL3713990 0.73 TRPM8 (0.53) TRPM8TRPV1
SCHEMBL1691354 0.70 TRPM8 (0.59) TRPM8TRPV1
SCHEMBL13188827 0.70 TRPM8 (1.00) TRPM8TRPV1
SCHEMBL3794699 0.69 TRPM8 (0.50) TRPM8TRPV1
SCHEMBL13188131 0.68 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 claimed