SCHEMBL3710076

SCHEMBL3710076

COc1cccc(C(NC(=O)c2cccc(C(F)(F)F)c2Cl)C23CCC(CC2)CN3C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 1.00

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
SCHEMBL7894974 0.92 SLC6A9 (1.00) SLC6A9
SCHEMBL3712889 0.90 SLC6A9 (0.85) SLC6A9
SCHEMBL7895208 0.89 SLC6A9 (1.00) SLC6A9
SCHEMBL3708341 0.89 SLC6A9 (0.84) SLC6A9
SCHEMBL4246371 0.89 SLC6A9 (1.00) SLC6A9
SCHEMBL4242856 0.89 SLC6A9 (1.00) SLC6A9
SCHEMBL4174261 0.89 SLC6A9 (1.00) SLC6A9
SCHEMBL3710842 0.88 SLC6A9 (1.00) SLC6A9
SCHEMBL7886949 0.85 SLC6A9 (0.87) SLC6A9
SCHEMBL7895158 0.85 SLC6A9 (1.00) 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