SCHEMBL13257561

SCHEMBL13257561

CC[C@@]12c3c4ccc(OC)c3O[C@@H]1C(=O)CC[C@@H]2C(NC)C4

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.54
OPRD1 P41143 7/20 0.54
OPRK1 P41145 7/20 0.54
LMNA P02545 2/20 0.54
PDE4D Q08499 1/20 0.54
MRGPRX2 Q96LB1 1/20 0.54
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BLM P54132 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13357084 1.00 OPRM1 (0.54) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL14772785 1.00 OPRM1 (0.54) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12945147 0.84 OPRM1 (0.73) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL10223931 0.82 OPRM1 (0.39) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL14679550 0.80 OPRM1 (0.50) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL14679553 0.80 OPRM1 (0.50) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL20170860 0.80 OPRM1 (0.50) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL14679543 0.80 OPRM1 (0.50) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL14035025 0.79 OPRM1 (0.53) OPRM1OPRD1OPRK1PDE4DMRGPRX2
SCHEMBL13013415 0.79 OPRM1 (0.53) OPRM1OPRD1OPRK1PDE4DMRGPRX2

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-2010096790-A1 (+)-MORPHINANANIUM N-OXIDES AND PROCESSES FOR THEIR PRODUCTION MALLINCKRODT INC. (US) 2010-08-26 WO disclosed