SCHEMBL16645977

SCHEMBL16645977

CC(F)(F)CNC(=O)c1c(C(F)(F)F)sc2nc(COc3ccc(F)cc3)cc(=O)n12

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 9/20 0.65
GRIN1 Q05586 8/20 0.65
GRIA2 P42262 2/20 0.49
MAPT P10636 7/20 0.49
RXFP1 Q9HBX9 6/20 0.47
POLB P06746 4/20 0.47
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL17958342 0.93 GRIN2A (0.64) GRIN2AGRIN1GRIA2MAPTRXFP1
SCHEMBL20403496 0.91 GRIN2A (0.62) GRIN2AGRIN1GRIA2MAPTRXFP1
SCHEMBL16638042 0.91 GRIN2A (0.78) GRIN2AGRIN1GRIA2MAPTRXFP1
SCHEMBL16637154 0.89 GRIN2A (0.64) GRIN2AGRIN1GRIA2MAPTRXFP1
SCHEMBL21983266 0.84 GRIN2A (0.59) GRIN2AGRIN1GRIA2MAPTRXFP1
SCHEMBL16645554 0.84 GRIN2A (0.81) GRIN2AGRIN1GRIA2MAPTRXFP1
SCHEMBL16645553 0.79 GRIN2A (1.00) GRIN2AGRIN1GRIA2
SCHEMBL16637270 0.78 GRIN2A (0.75) GRIN2AGRIN1GRIA2MAPTRXFP1
SCHEMBL17958184 0.78 GRIN2A (0.54) GRIN2AGRIN1GRIA2MAPTRXFP1
SCHEMBL16645859 0.77 GRIN2A (0.82) GRIN2AGRIN1GRIA2MAPTRXFP1

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