SCHEMBL3689784

SCHEMBL3689784

CN(CCc1ccc(Oc2ccc(C(N)=O)cn2)cc1)Cc1ccccc1OC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.52
OPRK1 P41145 14/20 0.52
OPRD1 P41143 11/20 0.52
SLC6A2 P23975 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GRIN1 Q05586 1/20 0.50
KCNH2 Q12809 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
ROCK1 Q13464 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SLC6A4 P31645 1/20 0.44
EPHX2 P34913 1/20 0.44
ABCB1 P08183 1/20 0.42

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
SCHEMBL3693293 0.89 OPRM1 (0.56) OPRM1OPRK1OPRD1SLC6A2GRIN2D
SCHEMBL3689432 0.89 OPRM1 (0.58) OPRM1OPRK1OPRD1SLC6A2GRIN2D
SCHEMBL3702154 0.88 OPRM1 (0.54) OPRM1OPRK1OPRD1SLC6A2GRIN2D
SCHEMBL13285434 0.86 OPRM1 (0.59) OPRM1OPRK1OPRD1SLC6A2GRIN2D
SCHEMBL3698877 0.85 OPRM1 (0.58) OPRM1OPRK1OPRD1SLC6A2GRIN2D
SCHEMBL3699256 0.84 OPRM1 (0.57) OPRM1OPRK1OPRD1SLC6A2GRIN2D
SCHEMBL3695960 0.83 OPRM1 (0.68) OPRM1OPRK1OPRD1SLC6A2GRIN2D
SCHEMBL3693687 0.82 OPRM1 (0.69) OPRM1OPRK1OPRD1SLC6A2GRIN2D
SCHEMBL3758558 0.82 OPRM1 (0.47) OPRM1OPRK1OPRD1SLC6A2GRIN2D
SCHEMBL3697413 0.81 OPRM1 (0.48) OPRM1OPRK1OPRD1SLC6A2GRIN2D

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
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed