SCHEMBL3699280

SCHEMBL3699280

CC(C)CCN(C)CCc1ccc(Oc2ccc(C(N)=O)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.56
OPRD1 P41143 14/20 0.56
OPRK1 P41145 14/20 0.56
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
GRIN1 Q05586 1/20 0.53
KCNH2 Q12809 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
ROCK1 Q13464 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
ABCB1 P08183 1/20 0.46
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44

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
SCHEMBL3696006 0.93 OPRM1 (0.57) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3692327 0.85 OPRM1 (0.64) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3690808 0.84 OPRM1 (0.61) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3695960 0.83 OPRM1 (0.68) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3699088 0.82 OPRM1 (0.76) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3691753 0.81 OPRM1 (0.62) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3696130 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL13285434 0.81 OPRM1 (0.59) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3705010 0.80 OPRM1 (0.51) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3705012 0.80 OPRM1 (0.51) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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 2 patents. 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
CN-1305852-C Diaryl ethers as opioid receptor antagonists LILLY CO ELI (US) 2007-03-21 CN disclosed