SCHEMBL2356041

SCHEMBL2356041

CC(C)OC(=O)c1cccnc1N1CCC(NCCC(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 0.49
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL2225469 0.84 PDE10A (0.52) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL12516832 0.84 PDE10A (0.52) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL2223648 0.84 OPRK1 (0.59) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL2222498 0.84 OPRK1 (0.59) OPRK1MAPTLMNAKDM4EPOLB
Hydrochloric Acid SCHEMBL14632635 0.83 OPRK1 (0.58) OPRK1MAPTLMNAKDM4EPOLB
Hydrochloric Acid SCHEMBL2222939 0.83 OPRK1 (0.58) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL12517307 0.82 OPRK1 (0.55) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL2221810 0.81 MAPT (0.57) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL2224091 0.80 OPRK1 (0.55) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL2223904 0.79 OPRK1 (0.54) OPRK1MAPTLMNAKDM4EPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed