SCHEMBL3705772

SCHEMBL3705772

Cc1cccc(C)c1C(=O)N[C@H](c1ccc(S(C)(=O)=O)cc1)C12CCC(CC1)CN2C

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.80
SLC6A5 Q9Y345 1/20 0.78

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
SCHEMBL3705771 1.00 SLC6A9 (0.80) SLC6A9SLC6A5
SCHEMBL7894929 0.90 SLC6A9 (0.76) SLC6A9SLC6A5
SCHEMBL3710930 0.90 SLC6A9 (0.76) SLC6A9SLC6A5
SCHEMBL3710115 0.89 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL7886793 0.89 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL4177135 0.88 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL4177129 0.88 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL4177391 0.81 SLC6A9 (0.88) SLC6A9SLC6A5
SCHEMBL4188799 0.81 SLC6A9 (0.86) SLC6A9SLC6A5
SCHEMBL7900645 0.79 SLC6A9 (1.00) 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 2 patents. 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
WO-2010087761-A1 2-AZA-BICYCLO[2.2.2]OCTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 WO disclosed