SCHEMBL13659846

SCHEMBL13659846

CCN(CC1CC1)[C@@H]1Cc2ccc(OC)c3c2C2[C@@H](O3)C(=O)CC[C@]21N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.40
OPRD1 P41143 4/20 0.37
OPRM1 P35372 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
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 2/20 0.37
BLM P54132 1/20 0.37
PDE4D Q08499 1/20 0.36
MRGPRX2 Q96LB1 1/20 0.36

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
SCHEMBL13847988 0.87 OPRM1 (0.38) OPRD1OPRM1OPRK1
SCHEMBL14089364 0.78 HCRTR1 (0.38) HCRTR1OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL14204835 0.77 HCRTR1 (0.37) HCRTR1OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL18473622 0.76 HCRTR1 (0.40) HCRTR1OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL13962904 0.75 OPRM1 (0.37) OPRD1OPRM1OPRK1CYP2D6
SCHEMBL12826657 0.74 HCRTR1 (0.41) HCRTR1OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL20170680 0.74 HCRTR1 (0.38) HCRTR1OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL10223357 0.72 HCRTR1 (0.43) HCRTR1OPRM1
SCHEMBL13847990 0.71 OPRM1 (0.33) OPRD1OPRM1OPRK1
SCHEMBL14161036 0.71 OPRK1 (0.34) OPRD1OPRM1OPRK1

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-2009132313-A2 MORPHINAN DERIVATIVES OF ORGANIC AND INORGANIC ACIDS PROGENICS PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed