SCHEMBL1743520

SCHEMBL1743520

CN1CC[C@]23c4c5c(N)cc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.69
OPRM1 P35372 4/20 0.69
OPRK1 P41145 3/20 0.69
LMNA P02545 1/20 0.56
PDE4D Q08499 1/20 0.56
MRGPRX2 Q96LB1 1/20 0.56
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL3687986 0.92 OPRD1 (0.71) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL1257397 0.90 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL1894961 0.88 OPRD1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL29389298 0.83 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL30340025 0.83 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL4705017 0.83 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL3178079 0.83 OPRD1 (0.60) OPRD1OPRM1OPRK1LMNAPDE4D
Hydrochloric Acid SCHEMBL3181605 0.82 OPRD1 (0.59) OPRD1OPRM1OPRK1LMNAPDE4D
Hydromorphone SCHEMBL15399726 0.82 OPRD1 (0.96) OPRD1OPRM1OPRK1LMNAPDE4D
Hydromorphone SCHEMBL6798556 0.82 OPRD1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387577-A2 NON-PEPTIDYL, POTENT, AND SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS Virginia Commonwealth University (US) 2011-11-23 EP disclosed
US-20110253334-A1 TRIPLE PAPERMAKING FABRIC USE OF THE FABRIC AND PAPERMAKING METHOD FELTRI MARONE S.P.A. (IT) 2011-10-20 US disclosed
WO-2010083384-A9 NON-PEPTIDYL, POTENT, AND SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2010-10-14 WO disclosed
WO-2010083384-A2 NON-PEPTIDYL, POTENT, AND SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2010-07-22 WO disclosed