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SCHEMBL3122850

SCHEMBL3122850

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 10/20 0.50
▸ GRIN2B Q13224 10/20 0.50
▸ CNR2 P34972 3/20 0.47
▸ TP53 P04637 1/20 0.40
▸ THRB P10828 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ GAA P10253 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
SCHEMBL3127427 0.94 GRIN1 (0.49) GRIN1GRIN2BCNR2TP53THRB
SCHEMBL13521717 0.93 GRIN2B (0.49) GRIN1GRIN2BCNR2TP53THRB
SCHEMBL13521710 0.93 GRIN1 (0.53) GRIN1GRIN2BCNR2TP53THRB
SCHEMBL13521608 0.91 GRIN2B (0.47) GRIN1GRIN2BCNR2TP53THRB
SCHEMBL3247757 0.90 GRIN1 (0.52) GRIN1GRIN2BCNR2TP53THRB
SCHEMBL3129318 0.90 GRIN2B (0.46) GRIN1GRIN2BCNR2TP53THRB
SCHEMBL3120723 0.90 GRIN2B (0.46) GRIN1GRIN2BCNR2TP53THRB
SCHEMBL13521743 0.89 GRIN2B (0.51) GRIN1GRIN2BCNR2
SCHEMBL3124902 0.87 GRIN2B (0.51) GRIN1GRIN2BCNR2THRBPOLB
SCHEMBL3126458 0.87 GRIN2B (0.47) GRIN1GRIN2BCNR2

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