SCHEMBL3354522

SCHEMBL3354522

CN(C)C(=O)Cn1ccc2ccc(N)cc21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 19/20 0.45
NTSR1 P30989 1/20 0.43
GRIN1 Q05586 7/20 0.42
CYP2C9 P11712 1/20 0.40

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
SCHEMBL13139567 0.83 NTSR1 (0.45) NTSR1CYP2C9
SCHEMBL2869168 0.81 KMT2A (0.60) NTSR1
SCHEMBL3353214 0.81 LMNA (0.44) NTSR1CYP2C9
SCHEMBL2873285 0.80 MCL1 (0.43) NTSR1
SCHEMBL13537401 0.80 GRIN2B (0.43) GRIN2BGRIN1CYP2C9
SCHEMBL3355234 0.79 KDM4E (0.48) NTSR1CYP2C9
SCHEMBL3354646 0.79 NTSR1 (0.51) NTSR1CYP2C9
SCHEMBL8568248 0.78 KMT2A (0.65) GRIN2BNTSR1
SCHEMBL3356633 0.78 HTR7 (0.50) GRIN2BGRIN1
SCHEMBL3057043 0.76 MCL1 (0.41) NTSR1CYP2C9

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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed