SCHEMBL3126458

SCHEMBL3126458

CCCCNC(=O)Cn1c(=O)n(CC)c2cc(-c3cc(F)cc(Cl)c3)cnc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 17/20 0.47
GRIN1 Q05586 14/20 0.47
CNR2 P34972 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL13521717 0.93 GRIN2B (0.49) GRIN2BGRIN1CNR2ALDH1A1
SCHEMBL3124902 0.93 GRIN2B (0.51) GRIN2BGRIN1CNR2
SCHEMBL3122850 0.87 GRIN1 (0.50) GRIN2BGRIN1CNR2
SCHEMBL3122894 0.86 GRIN1 (0.51) GRIN2BGRIN1CNR2
SCHEMBL13521608 0.86 GRIN2B (0.47) GRIN2BGRIN1CNR2ALDH1A1
SCHEMBL13521710 0.86 GRIN1 (0.53) GRIN2BGRIN1CNR2
SCHEMBL13521743 0.85 GRIN2B (0.51) GRIN2BGRIN1CNR2
SCHEMBL3264885 0.85 GRIN2B (0.49) GRIN2BGRIN1
SCHEMBL3127427 0.85 GRIN1 (0.49) GRIN2BGRIN1CNR2
SCHEMBL3120723 0.84 GRIN2B (0.46) GRIN2BGRIN1CNR2

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