SCHEMBL3783022

SCHEMBL3783022

Cn1cc(-c2cccc([C@H](NC(=O)c3cccc(C(F)(F)F)c3Cl)C34CCC(CC3)CN4)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.54

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
SCHEMBL3783021 1.00 SLC6A9 (0.54) SLC6A9
SCHEMBL3783295 0.86 SLC6A9 (0.75) SLC6A9
SCHEMBL17684559 0.84 SLC6A9 (0.51) SLC6A9
SCHEMBL4195768 0.83 SLC6A9 (0.66) SLC6A9
SCHEMBL4182595 0.83 SLC6A9 (0.66) SLC6A9
SCHEMBL4189152 0.83 SLC6A9 (0.66) SLC6A9
SCHEMBL3705077 0.81 SLC6A9 (0.59) SLC6A9
SCHEMBL3705074 0.81 SLC6A9 (0.59) SLC6A9
SCHEMBL4796179 0.78 SLC6A9 (0.65) SLC6A9
SCHEMBL4796183 0.78 SLC6A9 (0.65) SLC6A9

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 2 patents. 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
WO-2010087761-A1 2-AZA-BICYCLO[2.2.2]OCTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 WO disclosed