SCHEMBL20170651

SCHEMBL20170651

COc1ccc2c3c1OC1C(O)CC[C@](O)([C@@H](NCC4CCC4)C2)C31C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.50
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
PKM P14618 1/20 0.42
THPO P40225 1/20 0.42
SLC18A3 Q16572 1/20 0.39

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
SCHEMBL20170759 0.96 OPRM1 (0.52) OPRM1OPRD1OPRK1SLC18A3
SCHEMBL20170615 0.88 OPRM1 (0.52) OPRM1OPRD1OPRK1LMNACYP1A2
SCHEMBL20170658 0.85 OPRM1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL20170816 0.85 OPRM1 (0.39) OPRM1OPRD1OPRK1LMNA
SCHEMBL20170815 0.85 OPRM1 (0.39) OPRM1OPRD1OPRK1LMNA
SCHEMBL20170741 0.84 OPRM1 (0.51) OPRM1OPRD1OPRK1LMNACYP1A2
SCHEMBL20170791 0.84 OPRM1 (0.51) OPRM1OPRD1OPRK1LMNACYP1A2
SCHEMBL20170824 0.82 OPRM1 (0.42) OPRM1OPRD1OPRK1LMNA
SCHEMBL20170838 0.82 OPRM1 (0.42) OPRM1OPRD1OPRK1LMNA
SCHEMBL20170817 0.82 OPRM1 (0.42) OPRM1OPRD1OPRK1LMNA

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