SCHEMBL6681630

SCHEMBL6681630

Cc1cc(C[AsH]CCC(C)C)ccc1Oc1ccc(C(N)=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.42
OPRK1 P41145 13/20 0.42
OPRD1 P41143 11/20 0.42
NNMT P40261 2/20 0.41
ABCB1 P08183 1/20 0.41
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GRIN1 Q05586 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
ROCK1 Q13464 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MAPK14 Q16539 1/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36

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
SCHEMBL14199932 0.82 OPRM1 (0.42) OPRM1OPRK1OPRD1NNMTABCB1
SCHEMBL1532891 0.82 OPRM1 (0.51) OPRM1OPRK1OPRD1NNMTGRIN2D
SCHEMBL3699746 0.81 OPRM1 (0.43) OPRM1OPRK1OPRD1NNMTABCB1
SCHEMBL3690095 0.81 OPRM1 (0.55) OPRM1OPRK1OPRD1NNMTABCB1
SCHEMBL13773087 0.80 OPRM1 (0.41) OPRM1OPRK1OPRD1NNMTABCB1
SCHEMBL13840078 0.80 OPRM1 (0.40) OPRM1OPRK1OPRD1NNMTABCB1
SCHEMBL3695129 0.79 NNMT (0.48) OPRM1OPRK1OPRD1NNMTABCB1
SCHEMBL6224920 0.78 OPRM1 (0.43) OPRM1OPRK1OPRD1NNMTGRIN2D
SCHEMBL6203883 0.77 OPRM1 (0.43) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL3692171 0.73 OPRM1 (0.55) OPRM1OPRK1OPRD1NNMTGRIN2D

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-2004026305-A9 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2004-05-13 WO disclosed