SCHEMBL3239090

SCHEMBL3239090

COc1ccc2cn(C(=O)CN3C(=O)CCc4cc(-c5ccc(F)c(Cl)c5)cnc43)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 19/20 0.41
GRIN1 Q05586 6/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3247390 0.89 GRIN2B (0.39) GRIN2BGRIN1KDM4EALDH1A1LMNA
SCHEMBL3239092 0.85 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL3128413 0.85 KDM4E (0.36) KDM4EALDH1A1LMNA
SCHEMBL3124617 0.83 GRIN2B (0.42) GRIN2B
SCHEMBL3244879 0.81 LMNA (0.38) KDM4EALDH1A1LMNA
SCHEMBL13521688 0.80 GRIN2B (0.41) GRIN2B
SCHEMBL3242106 0.80 GRIN2B (0.45) GRIN2BGRIN1
SCHEMBL3240957 0.79 GRIN2B (0.41) GRIN2BGRIN1
SCHEMBL3246489 0.77 CYP11B2 (0.36) GRIN2BKDM4EALDH1A1LMNA
SCHEMBL3247029 0.76 GRIN2B (0.43) GRIN2BGRIN1

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