SCHEMBL16645477

SCHEMBL16645477

C=C(NC)c1c(C)sc2nc(Cc3cc(F)c(F)cc3Cl)cc(=O)n12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.53
GRIN2A Q12879 20/20 0.53
GRIA2 P42262 9/20 0.48

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
SCHEMBL17958294 0.90 GRIN1 (0.57) GRIN1GRIN2AGRIA2
SCHEMBL16645694 0.88 GRIN1 (0.57) GRIN1GRIN2AGRIA2
SCHEMBL16645968 0.87 GRIN1 (0.58) GRIN1GRIN2AGRIA2
SCHEMBL16645705 0.82 GRIN1 (0.58) GRIN1GRIN2AGRIA2
SCHEMBL17958187 0.78 GRIN1 (0.64) GRIN1GRIN2AGRIA2
SCHEMBL16636604 0.78 GRIN1 (0.54) GRIN1GRIN2AGRIA2
SCHEMBL17958110 0.78 GRIN1 (0.64) GRIN1GRIN2AGRIA2
SCHEMBL16637046 0.77 GRIN1 (0.55) GRIN1GRIN2AGRIA2
SCHEMBL16645465 0.76 GRIN1 (0.68) GRIN1GRIN2AGRIA2
SCHEMBL16636971 0.76 GRIN1 (0.59) 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