SCHEMBL3700239

SCHEMBL3700239

CCCCCNC(C)c1ccc(Oc2ccc(C(N)=O)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.51
OPRD1 P41143 9/20 0.51
OPRK1 P41145 8/20 0.51
ACACB O00763 11/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GRIN1 Q05586 1/20 0.48
KCNH2 Q12809 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
ROCK1 Q13464 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
ACACA Q13085 6/20 0.48

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
SCHEMBL3694858 0.85 OPRM1 (0.53) OPRM1OPRD1OPRK1ACACBGRIN2D
SCHEMBL3701443 0.85 OPRM1 (0.54) OPRM1OPRD1OPRK1ACACBGRIN2D
SCHEMBL3689643 0.84 OPRM1 (0.60) OPRM1OPRD1OPRK1ACACBGRIN2D
SCHEMBL3696930 0.81 OPRM1 (0.72) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL13773076 0.81 OPRM1 (0.52) OPRM1OPRD1OPRK1ACACBGRIN2D
SCHEMBL3699075 0.81 OPRM1 (0.74) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3693501 0.80 OPRM1 (0.72) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3699947 0.80 OPRM1 (0.77) OPRM1OPRD1OPRK1ACACBGRIN2D
SCHEMBL3691650 0.80 OPRM1 (0.77) OPRM1OPRD1OPRK1ACACBGRIN2D
SCHEMBL21628519 0.79 NNMT (0.56) 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 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