SCHEMBL3247757

SCHEMBL3247757

CCCCCNC(=O)Cn1c(=O)n(C)c2cc(-c3cc(Cl)cc(Cl)c3)cnc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 13/20 0.52
GRIN2B Q13224 13/20 0.52
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 3/20 0.42
AVPR1B P47901 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL13521710 0.97 GRIN1 (0.53) GRIN1GRIN2BPOLBTHRBL3MBTL1
SCHEMBL13521623 0.91 GRIN1 (0.49) GRIN1GRIN2BPOLBTHRBL3MBTL1
SCHEMBL3124902 0.91 GRIN2B (0.51) GRIN1GRIN2BPOLBTHRBL3MBTL1
SCHEMBL3122850 0.90 GRIN1 (0.50) GRIN1GRIN2BPOLBTHRBL3MBTL1
SCHEMBL13521717 0.89 GRIN2B (0.49) GRIN1GRIN2BPOLBTHRBL3MBTL1
SCHEMBL3127427 0.89 GRIN1 (0.49) GRIN1GRIN2BPOLBTHRBL3MBTL1
SCHEMBL13521608 0.87 GRIN2B (0.47) GRIN1GRIN2BPOLBTHRBL3MBTL1
SCHEMBL13521599 0.86 GRIN1 (0.44) GRIN1GRIN2BPOLBTHRBL3MBTL1
SCHEMBL3120723 0.86 GRIN2B (0.46) GRIN1GRIN2BTHRBCNR2TP53
SCHEMBL3129318 0.86 GRIN2B (0.46) GRIN1GRIN2BPOLBTHRBL3MBTL1

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