SCHEMBL10050971

SCHEMBL10050971

CCCN(C)C1Cc2ccc(O)c3c2C2[C@@H](O3)C(=O)CC[C@]21OC

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37

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
SCHEMBL45963 0.78 OPRM1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL20170699 0.76 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL14292473 0.75 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL19937935 0.74 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL12337178 0.74 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL13847990 0.73 OPRM1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL14161036 0.73 OPRK1 (0.34) OPRM1OPRD1OPRK1
SCHEMBL13659979 0.73 OPRK1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL13847992 0.73 OPRK1 (0.34) OPRM1OPRD1OPRK1
SCHEMBL13848227 0.72 OPRM1 (0.47) OPRM1OPRD1OPRK1

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-2420503-A1 Process for the synthesis of 14-oxygenated morphinan-6-ones Universität Innsbruck (AT) 2012-02-22 EP disclosed