SCHEMBL7895005

SCHEMBL7895005

CN1C(=O)C2CCC1([C@H](NC(=O)OC(C)(C)C)c1ccc(SCC3CC3)cc1)CC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.34
SLC6A9 P48067 5/20 0.34
AAK1 Q2M2I8 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32

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
SCHEMBL7896254 0.89 SCN9A (0.34) SCN9ASLC6A9
SCHEMBL7895248 0.89 SCN9A (0.34) SCN9ASLC6A9
SCHEMBL7894997 0.84 SLC6A9 (0.49) SCN9ASLC6A9
SCHEMBL7895234 0.80 SLC6A9 (0.30) SLC6A9
SCHEMBL3702719 0.80 SLC6A9 (0.30) SLC6A9
SCHEMBL7886491 0.79 SLC6A9 (0.39) SCN9ASLC6A9
SCHEMBL7899357 0.70 MAPT (0.43) SCN9ASLC6A9SLC6A5
SCHEMBL7893846 0.70 SLC6A9 (0.68) SLC6A9SLC6A5
SCHEMBL3785018 0.69
SCHEMBL7899349 0.69

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-2010087761-A1 2-AZA-BICYCLO[2.2.2]OCTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 WO disclosed