SCHEMBL3705215

SCHEMBL3705215

CN1C(=O)C2CCC1(C(NC(=O)O)c1ccc(SCC3CC3)cc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.39
SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL3705108 0.88 SLC6A9 (0.38) SLC6A9SLC6A5
SCHEMBL7895005 0.87 SCN9A (0.34) SLC6A9SLC6A5
SCHEMBL3705155 0.82 SLC6A9 (0.55) SLC6A9SLC6A5
SCHEMBL3702719 0.81 SLC6A9 (0.30) SLC6A9
SCHEMBL7895234 0.81 SLC6A9 (0.30) SLC6A9
SCHEMBL3711027 0.77 SLC6A9 (0.44) SLC6A9SLC6A5
SCHEMBL7895248 0.75 SCN9A (0.34) SLC6A9
SCHEMBL3713329 0.73 SLC6A9 (0.35) SLC6A9SLC6A5
SCHEMBL7894997 0.69 SLC6A9 (0.49) SLC6A9
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