SCHEMBL16645864

SCHEMBL16645864

CCN(Cc1cc(=O)n2c([C@@H]3C[C@H]3COS(C)(=O)=O)c(C)sc2n1)c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 20/20 0.76
GRIN1 Q05586 18/20 0.76
GRIA2 P42262 16/20 0.76

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
SCHEMBL16637028 1.00 GRIN2A (0.76) GRIN2AGRIN1GRIA2
SCHEMBL20403371 0.90 GRIN2A (0.81) GRIN2AGRIN1GRIA2
SCHEMBL17971452 0.88 GRIN2A (0.86) GRIN2AGRIN1GRIA2
SCHEMBL16637235 0.87 GRIN2A (0.85) GRIN2AGRIN1GRIA2
SCHEMBL16637236 0.87 GRIN2A (0.85) GRIN2AGRIN1GRIA2
SCHEMBL16636849 0.87 GRIN2A (1.00) GRIN2AGRIN1GRIA2
SCHEMBL16636847 0.87 GRIN2A (1.00) GRIN2AGRIN1GRIA2
SCHEMBL16645769 0.83 GRIN2A (0.76) GRIN2AGRIN1GRIA2
SCHEMBL17958136 0.83 GRIN2A (0.76) GRIN2AGRIN1GRIA2
SCHEMBL16636884 0.82 GRIN2A (0.73) GRIN2AGRIN1GRIA2

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-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed