SCHEMBL20170820

SCHEMBL20170820

COC(=O)C(C)NC1CCC2C3c4c(ccc(OC)c4OC13)CC2N(C)C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.46
OPRM1 P35372 11/20 0.37
OPRK1 P41145 6/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL10223933 0.73 HCRTR1 (0.45) HCRTR1OPRM1OPRK1
SCHEMBL13014030 0.71 HCRTR1 (0.51) HCRTR1OPRM1OPRK1
SCHEMBL20170674 0.71 HCRTR1 (0.51) HCRTR1OPRM1OPRK1
SCHEMBL12826658 0.71 OPRM1 (0.51) HCRTR1OPRM1OPRK1
SCHEMBL18473573 0.70 HCRTR1 (0.49) HCRTR1OPRM1OPRK1
SCHEMBL20170650 0.68 HCRTR1 (0.44) HCRTR1
SCHEMBL13072118 0.68 OPRM1 (0.50) HCRTR1OPRM1OPRK1
SCHEMBL13078525 0.66 OPRM1 (0.41) HCRTR1OPRM1OPRK1
SCHEMBL20170592 0.64 MTNR1A (0.40) HCRTR1
SCHEMBL20170799 0.64 HCRTR1 (0.47) HCRTR1OPRK1

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