SCHEMBL3711027

SCHEMBL3711027

CCCS(=O)(=O)c1ccc(C(NC(=O)O)C23CCC(CC2)C(=O)N3C)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.44
SLC6A5 Q9Y345 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
RORC P51449 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
SCHEMBL3705155 0.89 SLC6A9 (0.55) SLC6A9SLC6A5RORC
SCHEMBL7886491 0.87 SLC6A9 (0.39) SLC6A9MEN1KMT2A
SCHEMBL3709702 0.85 SLC6A9 (0.41) SLC6A9SLC6A5RORC
SCHEMBL3704216 0.83 SLC6A9 (0.62) SLC6A9SLC6A5
SCHEMBL3704054 0.78 SLC6A9 (0.47) SLC6A9SLC6A5
SCHEMBL3705215 0.77 SLC6A9 (0.39) SLC6A9SLC6A5
SCHEMBL7894997 0.76 SLC6A9 (0.49) SLC6A9MEN1KMT2ARORC
SCHEMBL3712651 0.71 SLC6A9 (0.78) SLC6A9SLC6A5
SCHEMBL7896780 0.71 SLC6A9 (0.55) SLC6A9SLC6A5
SCHEMBL7895248 0.69 SCN9A (0.34) SLC6A9KMT2A

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