SCHEMBL20170646

SCHEMBL20170646

COc1ccc2c3c1O[C@@H]1C(NCCO)CCC(CC2)C31C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.42
OPRK1 P41145 7/20 0.40
HTR1A P08908 1/20 0.37

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
SCHEMBL20170822 0.82 OPRM1 (0.51) OPRM1OPRK1
SCHEMBL20170805 0.72 OPRM1 (0.45) OPRM1OPRK1
SCHEMBL20170610 0.72 OPRM1 (0.45) OPRM1OPRK1
SCHEMBL20170738 0.72 HTR1A (0.40) HTR1A
SCHEMBL20170809 0.71 OPRM1 (0.64) OPRM1OPRK1
SCHEMBL20170722 0.71 OPRM1 (0.47) OPRM1OPRK1
SCHEMBL18457720 0.71 OPRD1 (0.64) OPRM1OPRK1
SCHEMBL12960908 0.71 OPRD1 (0.64) OPRM1OPRK1
SCHEMBL13292624 0.69 OPRM1 (0.45) OPRM1OPRK1
SCHEMBL12960791 0.68 OPRD1 (0.51) OPRM1OPRK1

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