SCHEMBL3787953

SCHEMBL3787953

OC1CC2(CCN(c3ccc(OC(F)F)c(F)c3)CC2)Oc2c(Br)cccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 12/20 0.46
TRPV1 Q8NER1 4/20 0.46
SCD O00767 2/20 0.38
RORC P51449 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALK Q9UM73 2/20 0.31
TNF P01375 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL3789581 0.86 TRPM8 (0.53) TRPM8TRPV1SCDHTR2B
SCHEMBL3787376 0.82 TRPM8 (0.66) TRPM8TRPV1
SCHEMBL3796860 0.74 TRPM8 (0.53) TRPM8TRPV1SCD
SCHEMBL3792393 0.69 NPC1 (0.47) TRPM8TRPV1SCD
SCHEMBL3785408 0.67 TRPM8 (0.50) TRPM8TRPV1HTR2B
SCHEMBL3794698 0.65 TRPM8 (0.70) TRPM8TRPV1
SCHEMBL3803441 0.63 TRPM8 (0.55) TRPM8TRPV1SCD
SCHEMBL13188844 0.62 TRPM8 (1.00) TRPM8TRPV1
SCHEMBL16314494 0.62 TRPM8 (0.53) TRPM8TRPV1SCD
SCHEMBL3789378 0.62 TRPM8 (0.54) TRPM8TRPV1SCD

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