SCHEMBL20170867

SCHEMBL20170867

C=CCN1CC[C@@]23c4c5ccc(OC)c4O[C@@H]2CCC[C@@H]3[C@@H]1C5

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.56
OPRM1 P35372 14/20 0.56
OPRK1 P41145 12/20 0.56
LMNA P02545 1/20 0.52
PDE4D Q08499 1/20 0.52
MRGPRX2 Q96LB1 1/20 0.52
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL22058865 1.00 OPRD1 (0.56) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL20852457 0.87 OPRM1 (0.55) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL20852443 0.87 OPRM1 (0.55) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL18457617 0.87 OPRM1 (0.55) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL18457663 0.87 OPRM1 (0.54) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL21202077 0.86 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL11631074 0.86 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL11631069 0.86 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL20170746 0.86 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL21202024 0.86 OPRM1 (0.67) 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 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