SCHEMBL10222575

SCHEMBL10222575

CCCN[C@H]1Cc2ccc(OC)c3c2C2C(O3)C(=O)CC[C@@]21O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.37
OPRD1 P41143 4/20 0.37
OPRK1 P41145 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL12830849 0.92 OPRM1 (0.38) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL20170643 0.82 MTNR1A (0.40) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL12826657 0.80 HCRTR1 (0.41) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL18473622 0.80 HCRTR1 (0.40) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL13825005 0.79 OPRM1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL12831142 0.79 OPRM1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL20170667 0.76 OPRM1 (0.32) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL20170680 0.76 HCRTR1 (0.38) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL12091332 0.74 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL13248810 0.74 OPRM1 (0.37) OPRM1OPRD1OPRK1

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
WO-2012008984-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2012-01-19 WO disclosed