SCHEMBL20170778

SCHEMBL20170778

CN[C@H]1Cc2ccc(OC)c3c2C2C1CC(Br)C(OC)(OC)[C@H]2O3

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.33
OPRM1 P35372 16/20 0.33
OPRD1 P41143 6/20 0.33
OPRK1 P41145 5/20 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
SCHEMBL20170781 0.77 OPRM1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL13072367 0.70 OPRM1 (0.34) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL20170692 0.70 HCRTR1 (0.36) HCRTR1
SCHEMBL20170703 0.67 HCRTR1 (0.47) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL20170650 0.66 HCRTR1 (0.44) HCRTR1
SCHEMBL18473438 0.61 HCRTR1 (0.41) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL13972294 0.61 HCRTR1 (0.41) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL13972295 0.61 HCRTR1 (0.41) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL20170705 0.61 OPRM1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL20852459 0.60 HTR1A (0.41) HCRTR1

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