SCHEMBL7893264

SCHEMBL7893264

CC(C)(C)[Si](C)(C)Oc1cc(O)c2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.45
OPRM1 P35372 6/20 0.45
OPRK1 P41145 6/20 0.45
LMNA P02545 2/20 0.45
PDE4D Q08499 1/20 0.45
MRGPRX2 Q96LB1 1/20 0.45
CYP2D6 P10635 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
BLM P54132 1/20 0.40
CHRNA7 P36544 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
SCHEMBL6627728 0.89 OPRD1 (0.54) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL7891489 0.82 OPRD1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL12646376 0.81 OPRD1 (0.54) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL17284788 0.81 OPRD1 (0.54) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL3181635 0.81 OPRD1 (0.46) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL10391029 0.81 OPRD1 (0.51) OPRD1OPRM1OPRK1LMNAPDE4D
Hydrochloric Acid SCHEMBL3167849 0.80 OPRD1 (0.46) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL4116882 0.80 OPRD1 (0.55) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL10392215 0.80 OPRD1 (0.55) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL3176821 0.80 OPRD1 (0.45) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323212-B1 METHOD FOR REDUCING PAIN, WHICH COMPRISES ADMINISTERING AN EFFECTIVE ANALGESIC AMOUNT OF THE MORPHINAN DERIVATIVE TORAY INDUSTRIES, INC. (JP) 2001-11-27 US disclosed
US-6277859-B1 HIGHLY SELECTIVE KAPPA-OPIOID AGONISTS USEFUL AS ANALGESICS AND DIURETICS WITH REDUCED PHYSIOLOGICAL SIDE EFFECTS TORAY INDUSTRIES, INC. (JP) 2001-08-21 US disclosed
US-6177438-B1 ANALGESICS, DIURETICS, ANTITUSSIVE AGENTS TORAY INDUSTRIES, INC. (JP) 2001-01-23 US disclosed
EP-0663401-B1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES (JP) 2000-06-07 EP disclosed
EP-0577847-B1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES (JP) 1998-10-14 EP disclosed
EP-0846694-A1 Morphinan derivative and its pharmaceutical applications TORAY INDUSTRIES, INC. (JP) 1998-06-10 EP disclosed
EP-0663401-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1995-07-19 EP disclosed
EP-0577847-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1994-01-12 EP disclosed