SCHEMBL5223602

SCHEMBL5223602

COc1cccc2c1CN(C(=O)c1cc(S(C)(=O)=O)ccc1OC(C)C(F)(F)F)C2

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 3/20 0.67

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
SCHEMBL3880732 1.00 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL3876378 0.91 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL3921226 0.89 SLC6A9 (0.83) SLC6A9SLC6A5
SCHEMBL3876457 0.89 SLC6A9 (0.83) SLC6A9SLC6A5
SCHEMBL4137807 0.89 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL3874100 0.88 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL3875512 0.86 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL13789488 0.86 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL1459956 0.84 SLC6A9 (0.77) SLC6A9SLC6A5
SCHEMBL3874021 0.84 SLC6A9 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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