SCHEMBL5808971

SCHEMBL5808971

CC(C)(C)C1CC(F)(C#N)CCN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
SIGMAR1 Q99720 11/20 0.39
TMEM97 Q5BJF2 3/20 0.39
CHRM4 P08173 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
SCHEMBL28935819 0.74 GRM6 (0.39) SIGMAR1
SCHEMBL14034171 0.72 NPY1R (0.39) OPRM1SIGMAR1TMEM97
SCHEMBL27618588 0.69 OPRM1 (0.43) OPRM1SIGMAR1TMEM97
SCHEMBL24926340 0.69 ACHE (0.45)
SCHEMBL12410196 0.69 ACHE (0.45)
SCHEMBL3424277 0.69 SIGMAR1 (0.47) SIGMAR1
SCHEMBL14663972 0.68 ALDH1A1 (0.45)
SCHEMBL14034000 0.65 PARP1 (0.39) SIGMAR1
SCHEMBL6045741 0.65 SMN1; SMN2 (0.55) OPRM1SIGMAR1TMEM97
SCHEMBL29330463 0.63 TP53 (0.41) OPRM1SIGMAR1TMEM97

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-2006086609-A2 INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-08-17 WO disclosed