SCHEMBL6627728

SCHEMBL6627728

COc1cc(O)c2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.54
OPRM1 P35372 9/20 0.54
OPRK1 P41145 9/20 0.54
LMNA P02545 2/20 0.54
PDE4D Q08499 1/20 0.54
MRGPRX2 Q96LB1 1/20 0.54
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIGMAR1 Q99720 3/20 0.48
BLM P54132 1/20 0.47

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
SCHEMBL10392215 0.90 OPRD1 (0.55) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL4116882 0.90 OPRD1 (0.55) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12646376 0.90 OPRD1 (0.54) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL17284788 0.90 OPRD1 (0.54) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL7893264 0.89 OPRD1 (0.45) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL10222580 0.88 OPRD1 (0.51) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL17284443 0.88 OPRD1 (0.51) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL10222585 0.88 OPRD1 (0.55) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL17284441 0.88 OPRD1 (0.55) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL4705017 0.87 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894799-B1 INDOLOMORPHINANE DERIVATIVES AND REMEDIES/PREVENTIVES FOR CEREBRAL DISORDERS TORAY INDUSTRIES (JP) 2004-04-07 EP disclosed
US-6156762-A Indolomorphinan derivative and agent for curing and preventing cerebral disorder TORAY INDUSTRIES, INC. (JP) 2000-12-05 US disclosed
EP-0894799-A1 INDOLOMORPHINANE DERIVATIVES AND REMEDIES/PREVENTIVES FOR CEREBRAL DISORDERS TORAY INDUSTRIES, INC. (JP) 1999-02-03 EP disclosed