SCHEMBL7896035

SCHEMBL7896035

CN1CC2CCC1(C(NC(=O)c1ccnc(C(F)(F)F)c1F)c1ccccc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 1.00
SLC6A5 Q9Y345 1/20 0.58

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
SCHEMBL4239062 0.84 SLC6A9 (0.81) SLC6A9SLC6A5
SCHEMBL2605223 0.84 SLC6A9 (0.72) SLC6A9
SCHEMBL2605389 0.83 SLC6A9 (0.71) SLC6A9SLC6A5
SCHEMBL2605275 0.82 SLC6A9 (0.70) SLC6A9SLC6A5
SCHEMBL7888163 0.82 SLC6A9 (0.76) SLC6A9SLC6A5
SCHEMBL4245699 0.82 SLC6A9 (0.84) SLC6A9SLC6A5
SCHEMBL4245703 0.82 SLC6A9 (0.84) SLC6A9SLC6A5
SCHEMBL7888207 0.79 SLC6A9 (0.82) SLC6A9SLC6A5
SCHEMBL7895880 0.79 SLC6A9 (0.82) SLC6A9SLC6A5
SCHEMBL7897071 0.79 SLC6A9 (0.78) 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