SCHEMBL16645948

SCHEMBL16645948

C#Cc1cccc(Cc2cc(=O)n3c(C4CC4C)c(C)sc3n2)c1F

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 20/20 0.68
GRIN1 Q05586 18/20 0.68
GRIA2 P42262 14/20 0.68
GRIN2D O15399 1/20 0.34
GRIN2C Q14957 1/20 0.34

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
SCHEMBL16636749 0.91 GRIN2A (0.81) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645623 0.84 GRIN2A (0.70) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645702 0.82 GRIN2A (0.54) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16637384 0.82 GRIN2A (0.79) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16637885 0.81 GRIN2A (0.77) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645464 0.81 GRIN2A (1.00) GRIN2AGRIN1GRIA2
SCHEMBL17958127 0.81 GRIN2A (1.00) GRIN2AGRIN1GRIA2
SCHEMBL16645621 0.81 GRIN2A (0.66) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16636732 0.81 GRIN2A (0.77) GRIN2AGRIN1GRIA2
SCHEMBL16645693 0.81 GRIN1 (0.66) 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