SCHEMBL7900707

SCHEMBL7900707

CN1CC2CCC1([C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1)CC2

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.68
SLC6A5 Q9Y345 1/20 0.59

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
SCHEMBL4190040 0.85 SLC6A9 (0.86) SLC6A9SLC6A5
SCHEMBL4188486 0.84 SLC6A9 (0.69) SLC6A9SLC6A5
SCHEMBL4193120 0.84 SLC6A9 (0.70) SLC6A9SLC6A5
SCHEMBL7887572 0.83 SLC6A9 (0.69) SLC6A9SLC6A5
SCHEMBL4188805 0.82 SLC6A9 (0.74) SLC6A9SLC6A5
SCHEMBL4249008 0.82 SLC6A9 (0.74) SLC6A9SLC6A5
SCHEMBL4182071 0.82 SLC6A9 (0.74) SLC6A9SLC6A5
SCHEMBL4174533 0.81 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL4179007 0.81 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL4249618 0.81 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