SCHEMBL20170632

SCHEMBL20170632

COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@@H](NC(C)=O)C(C2)CC314

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.55
OPRD1 P41143 11/20 0.55
OPRK1 P41145 10/20 0.55
LMNA P02545 2/20 0.55
PDE4D Q08499 1/20 0.55
MRGPRX2 Q96LB1 1/20 0.55
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL20170773 0.78 OPRM1 (0.66) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL14427319 0.77 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12836597 0.77 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12831723 0.77 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL327364 0.77 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12013629 0.77 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL19919122 0.77 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL21387134 0.74 OPRM1 (0.68) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12357438 0.74 OPRM1 (0.76) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12370428 0.74 OPRM1 (0.76) OPRM1OPRD1OPRK1LMNAPDE4D

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-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed