SCHEMBL3704823

SCHEMBL3704823

CN1CC2CCC1(C(N[S+]([O-])C(C)(C)C)c1cccc(Br)c1)CC2

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.53
SLC6A5 Q9Y345 1/20 0.43

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
SCHEMBL4192554 0.87 SLC6A9 (0.53) SLC6A9SLC6A5
SCHEMBL3708336 0.87 SLC6A9 (0.53) SLC6A9SLC6A5
SCHEMBL4192550 0.87 SLC6A9 (0.53) SLC6A9SLC6A5
SCHEMBL3806592 0.86 SLC6A9 (0.54) SLC6A9SLC6A5
SCHEMBL3705038 0.84 SLC6A9 (0.39) SLC6A9
SCHEMBL7894946 0.84 SLC6A9 (0.39) SLC6A9
SCHEMBL3780203 0.82 SLC6A9 (0.62) SLC6A9SLC6A5
SCHEMBL3781514 0.76 SLC6A9 (0.44) SLC6A9SLC6A5
SCHEMBL3709643 0.75 SLC6A9 (0.55) SLC6A9SLC6A5
SCHEMBL3711143 0.75 SLC6A9 (0.49) 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