SCHEMBL14607802

SCHEMBL14607802

COCCNC(=O)c1c(C)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.39
GRIN1 Q05586 4/20 0.37
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4586053 0.92 L3MBTL1 (0.40) GRIN2BGRIN1CNR2L3MBTL1DGAT2
SCHEMBL5541156 0.90 GRIN2B (0.38) GRIN2BGRIN1L3MBTL1DGAT2NPSR1
SCHEMBL5541014 0.85 L3MBTL1 (0.41) GRIN2BCNR2L3MBTL1
SCHEMBL5541219 0.85 L3MBTL1 (0.39) GRIN2BGRIN1CNR2L3MBTL1NPSR1
SCHEMBL5546775 0.85 L3MBTL1 (0.39) GRIN2BCNR2L3MBTL1ALDH1A1
SCHEMBL5541159 0.85 L3MBTL1 (0.40) GRIN2BGRIN1CNR2L3MBTL1SMN1; SMN2
SCHEMBL5546815 0.85 L3MBTL1 (0.39) GRIN2BGRIN1CNR2L3MBTL1
SCHEMBL5546841 0.84 L3MBTL1 (0.40) GRIN2BCNR2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5538539 0.84 L3MBTL1 (0.38) GRIN2BCNR2L3MBTL1SMN1; SMN2
SCHEMBL5545892 0.84 L3MBTL1 (0.41) GRIN2BGRIN1CNR2L3MBTL1TP53

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-2007019100-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed