SCHEMBL16645973

SCHEMBL16645973

C#Cc1cccc(Cc2cc(=O)n3c4c(sc3n2)CCC4CO)c1F

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 13/20 0.56
GRIN1 Q05586 11/20 0.56
GRIA2 P42262 9/20 0.56
RXFP1 Q9HBX9 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 6/20 0.33

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
SCHEMBL17971492 0.91 GRIN2A (0.67) GRIN2AGRIN1GRIA2RXFP1TP53
SCHEMBL16645632 0.87 GRIN2A (0.67) GRIN2AGRIN1GRIA2
SCHEMBL16645702 0.82 GRIN2A (0.54) GRIN2AGRIN1GRIA2MAPT
SCHEMBL16645714 0.80 MAPT (0.50) GRIN2AGRIN1GRIA2RXFP1TP53
SCHEMBL16645948 0.78 GRIN2A (0.68) GRIN2AGRIN1GRIA2
SCHEMBL16645704 0.77 GRIN2A (0.49) GRIN2AGRIN1GRIA2RXFP1TP53
SCHEMBL16645693 0.73 GRIN1 (0.66) GRIN2AGRIN1GRIA2
SCHEMBL17958172 0.73 GRIN2A (0.66) GRIN2AGRIN1GRIA2
SCHEMBL17971474 0.73 GRIN2A (0.64) GRIN2AGRIN1GRIA2RXFP1TP53
SCHEMBL16645692 0.73 GRIN1 (0.56) 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