SCHEMBL13847992

SCHEMBL13847992

CCN(CC1CC1)[C@@H]1Cc2ccc(O)c3c2C2C(O3)C(=O)CCC21OCC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34

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
SCHEMBL14161036 0.99 OPRK1 (0.34) OPRK1OPRM1OPRD1
SCHEMBL13847990 0.88 OPRM1 (0.33) OPRK1OPRM1OPRD1
SCHEMBL13659979 0.87 OPRK1 (0.37) OPRK1OPRM1OPRD1
SCHEMBL13659981 0.85 OPRM1 (0.32) OPRK1OPRM1OPRD1
SCHEMBL13847989 0.85 OPRM1 (0.34) OPRK1OPRM1
SCHEMBL13848227 0.83 OPRM1 (0.47) OPRK1OPRM1OPRD1
SCHEMBL13660006 0.83 OPRK1 (0.33) OPRK1OPRM1OPRD1
SCHEMBL13962904 0.82 OPRM1 (0.37) OPRK1OPRM1OPRD1
SCHEMBL13847987 0.81 OPRM1 (0.38) OPRK1OPRM1OPRD1
SCHEMBL13847988 0.81 OPRM1 (0.38) OPRK1OPRM1OPRD1

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-2009067275-A1 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC (US) 2009-05-28 WO disclosed