SCHEMBL3939739

SCHEMBL3939739

CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccc(C3CCOCC3)nc2C1)C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.75
SLC6A5 Q9Y345 3/20 0.61

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
SCHEMBL3939736 1.00 SLC6A9 (0.75) SLC6A9SLC6A5
SCHEMBL1105669 0.85 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL30510966 0.85 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL1096822 0.85 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL9882745 0.85 SLC6A9 (0.81) SLC6A9SLC6A5
SCHEMBL3872901 0.85 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL8262322 0.83 SLC6A9 (0.83) SLC6A9SLC6A5
SCHEMBL3872141 0.83 SLC6A9 (0.83) SLC6A9SLC6A5
SCHEMBL3874228 0.83 SLC6A9 (0.78) SLC6A9SLC6A5
SCHEMBL3872067 0.83 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed