SCHEMBL16645649

SCHEMBL16645649

CCC1CC1c1c(C)sc2nc(Cn3nc(Cl)cc3C(F)(F)F)cc(=O)n12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 20/20 0.64
GRIN1 Q05586 18/20 0.64
GRIA2 P42262 12/20 0.64
GRIN2D O15399 1/20 0.46
GRIN2C Q14957 1/20 0.46

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
SCHEMBL20403446 0.92 GRIN2A (0.63) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958299 0.92 GRIN2A (0.75) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958188 0.87 GRIN2A (0.73) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645671 0.86 GRIN2A (0.85) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958201 0.85 GRIN2A (0.68) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645840 0.83 GRIN2A (0.59) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16638053 0.82 GRIN2A (0.82) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16638054 0.82 GRIN2A (0.82) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645761 0.82 GRIN2A (0.58) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958287 0.82 GRIN2A (0.61) GRIN2AGRIN1GRIA2GRIN2DGRIN2C

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