SCHEMBL3709702

SCHEMBL3709702

C=CCN1C(=O)C2CCC1(C(NC(=O)O)c1ccc(S(=O)(=O)CCC)cc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.41
SLC6A5 Q9Y345 1/20 0.33
RORC P51449 4/20 0.31

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
SCHEMBL3711027 0.85 SLC6A9 (0.44) SLC6A9SLC6A5RORC
SCHEMBL3711687 0.84 SLC6A9 (0.43) SLC6A9SLC6A5
SCHEMBL3713329 0.83 SLC6A9 (0.35) SLC6A9SLC6A5
SCHEMBL3704054 0.83 SLC6A9 (0.47) SLC6A9SLC6A5
SCHEMBL3704216 0.78 SLC6A9 (0.62) SLC6A9SLC6A5
SCHEMBL3710928 0.75 RORC (0.33) RORC
SCHEMBL3705155 0.74 SLC6A9 (0.55) SLC6A9SLC6A5RORC
SCHEMBL3710931 0.74 OPRM1 (0.31)
SCHEMBL7899357 0.73 MAPT (0.43) SLC6A9SLC6A5
SCHEMBL7886491 0.73 SLC6A9 (0.39) SLC6A9

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