SCHEMBL20170694

SCHEMBL20170694

C=C1CC[C@]2(O)C(NC)Cc3ccc(OC)c4c3[C@]2(C)[C@@H]1O4

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.45
OPRD1 P41143 6/20 0.45
OPRK1 P41145 5/20 0.45
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
BLM P54132 1/20 0.41
NR1I2 O75469 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE4D Q08499 1/20 0.38
MRGPRX2 Q96LB1 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL20170776 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL20170763 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL12091233 0.88 OPRM1 (0.56) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL20170679 0.87 OPRD1 (0.43) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL20170721 0.87 OPRD1 (0.43) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL20170611 0.79 OPRM1 (0.41) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL20170755 0.79 OPRM1 (0.41) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL20170764 0.79 OPRM1 (0.41) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL18162960 0.78 OPRM1 (0.46) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL20170649 0.77 OPRM1 (0.54) OPRM1OPRD1OPRK1ALDH1A1CYP3A4

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