SCHEMBL7893409

SCHEMBL7893409

Cc1onc(-c2ccccc2)c1C(=O)NC(c1ccccc1)C12CCC(CC1)CN2C

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.68
SLC6A5 Q9Y345 1/20 0.68

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
SCHEMBL7888122 0.90 SLC6A9 (0.73) SLC6A9SLC6A5
SCHEMBL4177135 0.81 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL4177129 0.81 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL3710879 0.80 SLC6A9 (0.77) SLC6A9SLC6A5
SCHEMBL13949261 0.79 SLC6A9 (0.76) SLC6A9SLC6A5
SCHEMBL13949262 0.79 SLC6A9 (0.76) SLC6A9SLC6A5
SCHEMBL13949252 0.79 SLC6A9 (0.76) SLC6A9SLC6A5
SCHEMBL4241595 0.78 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL4179991 0.78 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL7896453 0.78 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 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