SCHEMBL13825005

SCHEMBL13825005

CCN[C@@H]1Cc2ccc(O)c3c2C2[C@@H](O3)C(=O)CC[C@]21O

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 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
SCHEMBL12831142 1.00 OPRM1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL12091332 0.89 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL13248810 0.89 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL12830849 0.87 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL16541860 0.86 OPRM1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL45963 0.80 OPRM1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL10222575 0.79 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL13962904 0.77 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL14202054 0.77 KDM1A (0.36) OPRM1OPRD1OPRK1
SCHEMBL12830845 0.77 MAOA (0.33) OPRM1OPRD1

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-2012149633-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF MORPHINE ANALOGS VIA N-DEMETHYLATION OF N-OXIDES USING CYCLODEHYDRATION REAGENTS BROCK UNIVERSITY (CA) 2012-11-08 WO disclosed
WO-2009012005-A1 PREPARATION OF N-ALKYLATED OPIATES BY REDUCTIVE AMINATION MALLINCKRODT INC. (US) 2009-01-22 WO disclosed