SCHEMBL6685808

SCHEMBL6685808

CCNC(=O)c1ccc(Oc2ccc(C(C)NCCC(C)C)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.54
OPRD1 P41143 3/20 0.54
OPRK1 P41145 1/20 0.54
ACACB O00763 14/20 0.46
ACACA Q13085 8/20 0.45
GRN P28799 2/20 0.45
SORT1 Q99523 2/20 0.45

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
SCHEMBL3689773 0.83 OPRM1 (0.73) OPRM1OPRD1OPRK1ACACBACACA
SCHEMBL6685812 0.82 OPRM1 (0.72) OPRM1OPRD1OPRK1ACACBACACA
SCHEMBL14457026 0.80 GRM5 (0.50) OPRM1OPRD1OPRK1GRNSORT1
SCHEMBL14456723 0.78 GRM5 (0.50) OPRM1OPRD1OPRK1GRNSORT1
SCHEMBL27549457 0.78 OPRM1 (0.62) OPRM1OPRD1OPRK1ACACBGRN
SCHEMBL13876367 0.77 LIPE (0.51) OPRM1OPRD1OPRK1GRNSORT1
SCHEMBL13876381 0.77 GRM5 (0.52) OPRM1OPRD1OPRK1GRNSORT1
SCHEMBL13876362 0.77 EPHX2 (0.55) OPRM1OPRD1OPRK1GRNSORT1
SCHEMBL3700239 0.76 OPRM1 (0.51) OPRM1OPRD1OPRK1ACACBACACA
SCHEMBL3694390 0.73 OPRM1 (0.49) OPRM1OPRD1OPRK1ACACBACACA

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