SCHEMBL13847987

SCHEMBL13847987

CCN(CC1CC1)[C@@H]1Cc2ccc(O)c3c2C2C(O3)C(=O)CCC21OC(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.38
OPRK1 P41145 6/20 0.38
OPRD1 P41143 4/20 0.35

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
SCHEMBL13848227 0.85 OPRM1 (0.47) OPRM1OPRK1OPRD1
SCHEMBL14161037 0.84 OPRD1 (0.34) OPRM1OPRK1OPRD1
SCHEMBL14161036 0.82 OPRK1 (0.34) OPRM1OPRK1OPRD1
SCHEMBL13847990 0.82 OPRM1 (0.33) OPRM1OPRK1OPRD1
SCHEMBL13659979 0.81 OPRK1 (0.37) OPRM1OPRK1OPRD1
SCHEMBL13847992 0.81 OPRK1 (0.34) OPRM1OPRK1OPRD1
SCHEMBL13847989 0.81 OPRM1 (0.34) OPRM1OPRK1
SCHEMBL13659981 0.80 OPRM1 (0.32) OPRM1OPRK1OPRD1
SCHEMBL13962904 0.79 OPRM1 (0.37) OPRM1OPRK1OPRD1
SCHEMBL13847988 0.78 OPRM1 (0.38) OPRM1OPRK1OPRD1

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
WO-2009067275-A1 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC (US) 2009-05-28 WO disclosed
WO-2008070462-A2 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC. (US) 2008-06-12 WO disclosed