SCHEMBL20170754

SCHEMBL20170754

CC[C@@]12c3c4ccc(O)c3O[C@@H]1CCCC2CC4

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.41
OPRD1 P41143 9/20 0.41
OPRK1 P41145 9/20 0.41
SIGMAR1 Q99720 1/20 0.38
NR3C1 P04150 2/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL20170829 0.79 OPRD1 (0.46) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL14542485 0.72 OPRM1 (0.43) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL22559865 0.72 OPRM1 (0.43) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL20683158 0.65 OPRM1 (0.67) OPRM1OPRD1OPRK1
SCHEMBL20843777 0.65 OPRM1 (0.67) OPRM1OPRD1OPRK1
SCHEMBL20843778 0.65 OPRM1 (0.67) OPRM1OPRD1OPRK1
SCHEMBL20170726 0.65 OPRM1 (0.43) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL17696682 0.65 OPRD1 (0.42) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL21338056 0.64 OPRD1 (0.40) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL14679543 0.63 OPRM1 (0.50) OPRM1OPRD1OPRK1SIGMAR1

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