SCHEMBL20170679

SCHEMBL20170679

C=CCN[C@H]1Cc2ccc(OC)c3c2C2(C)[C@H](O3)C(=C)CC[C@]12O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.43
OPRM1 P35372 5/20 0.43
OPRK1 P41145 5/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL20170721 1.00 OPRD1 (0.43) OPRD1OPRM1OPRK1ALDH1A1CYP3A4
SCHEMBL20170763 0.87 OPRM1 (0.45) OPRD1OPRM1OPRK1ALDH1A1CYP3A4
SCHEMBL20170694 0.87 OPRM1 (0.45) OPRD1OPRM1OPRK1ALDH1A1CYP3A4
SCHEMBL20170776 0.87 OPRM1 (0.45) OPRD1OPRM1OPRK1ALDH1A1CYP3A4
SCHEMBL20170845 0.83 OPRM1 (0.39) OPRD1OPRM1OPRK1ALDH1A1CYP3A4
SCHEMBL20170777 0.83 OPRM1 (0.39) OPRD1OPRM1OPRK1ALDH1A1CYP3A4
SCHEMBL20170658 0.82 OPRM1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL16509912 0.79 OPRM1 (0.54) OPRD1OPRM1OPRK1ALDH1A1CYP3A4
SCHEMBL20170766 0.78 OPRK1 (0.53) OPRD1OPRM1OPRK1CYP2D6HSD17B10
SCHEMBL18162960 0.76 OPRM1 (0.46) OPRD1OPRM1OPRK1ALDH1A1CYP3A4

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