SCHEMBL16645814

SCHEMBL16645814

Cc1sc2nc(Cc3cccc(C(F)(F)F)c3F)cc(=O)n2c1CC(N)=O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 19/20 0.67
GRIN2A Q12879 19/20 0.67
GRIA2 P42262 11/20 0.67
CD38 P28907 1/20 0.39

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
SCHEMBL16645485 0.94 GRIN1 (0.59) GRIN1GRIN2AGRIA2
SCHEMBL17958235 0.90 GRIN1 (0.68) GRIN1GRIN2AGRIA2
SCHEMBL16637291 0.90 GRIN1 (0.70) GRIN1GRIN2AGRIA2
SCHEMBL16645947 0.88 GRIN1 (0.51) GRIN1GRIN2AGRIA2CD38
SCHEMBL17958125 0.88 GRIN1 (0.75) GRIN1GRIN2AGRIA2
SCHEMBL17958268 0.87 GRIN1 (0.62) GRIN1GRIN2AGRIA2
SCHEMBL16645796 0.87 GRIN1 (0.69) GRIN1GRIN2AGRIA2CD38
SCHEMBL16636460 0.87 GRIN1 (0.77) GRIN1GRIN2AGRIA2CD38
SCHEMBL16645692 0.86 GRIN1 (0.56) GRIN1GRIN2AGRIA2
SCHEMBL16645620 0.85 GRIN1 (0.64) GRIN1GRIN2AGRIA2

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