SCHEMBL3129846

SCHEMBL3129846

CCCCNC(=O)Cn1c(=O)n(CC)c2cc(-c3cccc(C#N)c3)cnc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 13/20 0.46
GRIN2B Q13224 13/20 0.46
EGLN1 Q9GZT9 2/20 0.44
CNR2 P34972 3/20 0.43
ADORA2A P29274 1/20 0.41

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
SCHEMBL3120603 0.88 GRIN2B (0.45) GRIN1GRIN2BCNR2
SCHEMBL13521620 0.87 GRIN2B (0.52) GRIN1GRIN2BCNR2
SCHEMBL13521624 0.87 GRIN1 (0.49) GRIN1GRIN2BCNR2
SCHEMBL3264093 0.87 GRIN2B (0.51) GRIN1GRIN2BCNR2
SCHEMBL3122894 0.86 GRIN1 (0.51) GRIN1GRIN2BEGLN1CNR2
SCHEMBL13521717 0.81 GRIN2B (0.49) GRIN1GRIN2BCNR2
SCHEMBL13521696 0.80 GRIN2B (0.47) GRIN1GRIN2BCNR2
SCHEMBL13521698 0.80 GRIN2B (0.49) GRIN1GRIN2BCNR2
SCHEMBL3129318 0.78 GRIN2B (0.46) GRIN1GRIN2BCNR2
SCHEMBL3126458 0.77 GRIN2B (0.47) GRIN1GRIN2BCNR2

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-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO claimed