SCHEMBL16637042

SCHEMBL16637042

COS(=O)(=O)CC1CC1c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 10/20 0.76
GRIN1 Q05586 9/20 0.76
GRIA2 P42262 7/20 0.76
MAPT P10636 8/20 0.44
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
TP53 P04637 1/20 0.40

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
SCHEMBL17971451 0.91 GRIN2A (0.84) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16645770 0.88 GRIN2A (0.81) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL17975699 0.88 GRIN2A (0.81) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16645771 0.87 GRIN2A (0.84) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16636309 0.87 GRIN2A (1.00) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16636699 0.87 GRIN2A (1.00) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16636514 0.87 GRIN2A (1.00) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL17958136 0.86 GRIN2A (0.76) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16645769 0.86 GRIN2A (0.76) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL17958209 0.85 GRIN2A (0.78) GRIN2AGRIN1GRIA2MAPTPOLB

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-3055315-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed