SCHEMBL16645822

SCHEMBL16645822

CCN(Cc1cc(=O)n2c(C(N)=O)c(C)sc2n1)c1ccc(Cl)cn1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.63
GRIN2A Q12879 20/20 0.63
GRIA2 P42262 16/20 0.55

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
SCHEMBL16645756 0.89 GRIN1 (0.49) GRIN1GRIN2AGRIA2
SCHEMBL17958264 0.88 GRIN1 (0.81) GRIN1GRIN2AGRIA2
SCHEMBL16645645 0.88 GRIN1 (0.55) GRIN1GRIN2AGRIA2
SCHEMBL16645677 0.81 GRIN2A (0.69) GRIN1GRIN2AGRIA2
SCHEMBL17975723 0.81 GRIN2A (0.69) GRIN1GRIN2AGRIA2
SCHEMBL16645622 0.80 GRIN2A (0.83) GRIN1GRIN2AGRIA2
SCHEMBL16636733 0.78 GRIN1 (0.67) GRIN1GRIN2AGRIA2
SCHEMBL16645513 0.77 GRIN1 (0.81) GRIN1GRIN2AGRIA2
SCHEMBL16645492 0.77 GRIN2A (0.65) GRIN1GRIN2AGRIA2
SCHEMBL16645950 0.77 GRIN1 (1.00) 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