SCHEMBL3245322

SCHEMBL3245322

COc1ccc2c(c1)CN(C(=O)Cn1c(=O)n(C)c3cc(-c4cc(F)cc(Cl)c4)cnc31)C2

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.51
GRIN2B Q13224 20/20 0.51

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
SCHEMBL3242733 0.94 GRIN1 (0.50) GRIN1GRIN2B
SCHEMBL3252351 0.89 GRIN2B (0.52) GRIN1GRIN2B
SCHEMBL3249233 0.89 GRIN2B (0.61) GRIN1GRIN2B
SCHEMBL3245549 0.88 GRIN1 (0.46) GRIN1GRIN2B
SCHEMBL3236751 0.88 GRIN1 (0.46) GRIN1GRIN2B
SCHEMBL3252047 0.87 GRIN1 (0.46) GRIN1GRIN2B
SCHEMBL13521617 0.83 GRIN1 (0.58) GRIN1GRIN2B
SCHEMBL3247035 0.82 GRIN2B (0.47) GRIN1GRIN2B
SCHEMBL3256125 0.82 GRIN2B (0.55) GRIN1GRIN2B
SCHEMBL3250701 0.81 HSD17B10 (0.44) GRIN1GRIN2B

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