SCHEMBL3122894

SCHEMBL3122894

CCCCNC(=O)Cn1c(=O)n(CC)c2cc(-c3cccc(Cl)c3)cnc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 9/20 0.51
GRIN2B Q13224 9/20 0.51
CNR2 P34972 3/20 0.46
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.45
AVPR1B P47901 2/20 0.43
VEGFA P15692 2/20 0.42
FLT1 P17948 2/20 0.42
EGLN1 Q9GZT9 2/20 0.42
EGLN3 Q9H6Z9 2/20 0.42
MAPT P10636 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
SCHEMBL13521717 0.91 GRIN2B (0.49) GRIN1GRIN2BCNR2TP53THRB
SCHEMBL13521624 0.90 GRIN1 (0.49) GRIN1GRIN2BCNR2THRB
SCHEMBL13521620 0.90 GRIN2B (0.52) GRIN1GRIN2BCNR2
SCHEMBL3264093 0.89 GRIN2B (0.51) GRIN1GRIN2BCNR2TP53THRB
SCHEMBL3129846 0.86 GRIN1 (0.46) GRIN1GRIN2BCNR2EGLN1
SCHEMBL3126458 0.86 GRIN2B (0.47) GRIN1GRIN2BCNR2
SCHEMBL3120603 0.85 GRIN2B (0.45) GRIN1GRIN2BCNR2TP53THRB
SCHEMBL3122850 0.84 GRIN1 (0.50) GRIN1GRIN2BCNR2TP53THRB
SCHEMBL13521608 0.83 GRIN2B (0.47) GRIN1GRIN2BCNR2TP53THRB
SCHEMBL13521710 0.83 GRIN1 (0.53) GRIN1GRIN2BCNR2TP53THRB

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