SCHEMBL3706848

SCHEMBL3706848

C=CCN1CC2CCC1(C(NC(=O)c1c(C)cccc1C)c1ccc(S(=O)(=O)CCC)cc1)CC2

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.62
SLC6A5 Q9Y345 1/20 0.53

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
SCHEMBL7895340 1.00 SLC6A9 (0.62) SLC6A9SLC6A5
SCHEMBL3704054 0.89 SLC6A9 (0.47) SLC6A9SLC6A5
SCHEMBL3708179 0.86 SLC6A9 (0.70) SLC6A9SLC6A5
SCHEMBL7898304 0.86 SLC6A9 (0.70) SLC6A9SLC6A5
SCHEMBL3711335 0.77 SLC6A9 (0.76) SLC6A9SLC6A5
Hydrochloric Acid SCHEMBL3705815 0.77 SLC6A9 (0.35) SLC6A9
SCHEMBL7896447 0.77 SLC6A9 (0.76) SLC6A9SLC6A5
SCHEMBL7886793 0.77 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL7896438 0.77 SLC6A9 (0.71) SLC6A9SLC6A5
SCHEMBL3714228 0.77 SLC6A9 (0.71) SLC6A9SLC6A5

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