SCHEMBL20170797

SCHEMBL20170797

C=CCN[C@H]1Cc2ccc(O)c3c2[C@]2(C)[C@H](O3)C(=O)CC[C@]12OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.55
OPRK1 P41145 4/20 0.55
OPRD1 P41143 3/20 0.55
CTDSP1 Q9GZU7 1/20 0.45
CYP2D6 P10635 3/20 0.45
CYBB P04839 2/20 0.45
NFKB1 P19838 1/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL20170720 1.00 OPRM1 (0.55) OPRM1OPRK1OPRD1CTDSP1CYP2D6
SCHEMBL20170668 0.86 OPRM1 (0.51) OPRM1OPRK1OPRD1CYP2D6
SCHEMBL20170714 0.86 OPRM1 (0.51) OPRM1OPRK1OPRD1CYP2D6
SCHEMBL20170766 0.86 OPRK1 (0.53) OPRM1OPRK1OPRD1CTDSP1CYP2D6
SCHEMBL20170828 0.81 OPRM1 (0.49) OPRM1OPRK1OPRD1
SCHEMBL13575427 0.78 OPRM1 (0.52) OPRM1OPRK1OPRD1CTDSP1CYP2D6
SCHEMBL19496310 0.78 OPRM1 (0.52) OPRM1OPRK1OPRD1CTDSP1CYP2D6
SCHEMBL15858564 0.78 OPRM1 (0.52) OPRM1OPRK1OPRD1CTDSP1CYP2D6
SCHEMBL20170699 0.75 OPRM1 (0.41) OPRM1OPRK1OPRD1
SCHEMBL16509927 0.74 OPRM1 (0.52) OPRM1OPRK1OPRD1CTDSP1CYP2D6

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