SCHEMBL3705155

SCHEMBL3705155

CN1C(=O)C2CCC1(C(NC(=O)O)c1ccc(S(=O)(=O)CC3CC3)cc1)CC2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.55
SLC6A5 Q9Y345 1/20 0.36
RORC P51449 4/20 0.34
AOC2 O75106 1/20 0.33
PHGDH O43175 1/20 0.32
GLP1R P43220 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
SCHEMBL3711027 0.89 SLC6A9 (0.44) SLC6A9SLC6A5RORC
SCHEMBL7894997 0.87 SLC6A9 (0.49) SLC6A9RORCAOC2PHGDH
SCHEMBL3712651 0.82 SLC6A9 (0.78) SLC6A9SLC6A5
SCHEMBL7886491 0.76 SLC6A9 (0.39) SLC6A9PHGDH
SCHEMBL3709702 0.74 SLC6A9 (0.41) SLC6A9SLC6A5RORC
SCHEMBL3710115 0.71 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL7886793 0.71 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL7893846 0.70 SLC6A9 (0.68) SLC6A9SLC6A5
SCHEMBL7895005 0.69 SCN9A (0.34) SLC6A9SLC6A5
SCHEMBL3711687 0.66 SLC6A9 (0.43) 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