SCHEMBL7892116

SCHEMBL7892116

COc1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(N(O)O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 12/20 0.80
TP53 P04637 3/20 0.80
GRIN2D O15399 1/20 0.70
GAA P10253 1/20 0.68
HTT P42858 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68

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
SCHEMBL7901342 0.94 GRIN2C (0.90) GRIN2CTP53GRIN2DGAAHTT
SCHEMBL7895810 0.90 GRIN2C (0.83) GRIN2CTP53GRIN2D
SCHEMBL7900445 0.89 GRIN2C (0.82) GRIN2CTP53GRIN2DGAAHTT
SCHEMBL7893874 0.89 GRIN2C (1.00) GRIN2CTP53GRIN2D
SCHEMBL7901977 0.89 GRIN2C (1.00) GRIN2CTP53GRIN2D
SCHEMBL7899442 0.87 TP53 (0.82) GRIN2CTP53GRIN2DGAAHTT
SCHEMBL7894045 0.87 GRIN2C (0.81) GRIN2CTP53GRIN2DGAAHTT
SCHEMBL20953059 0.86 GRIN2C (0.76) GRIN2CTP53GRIN2D
SCHEMBL7902664 0.85 GRIN2C (0.82) GRIN2CTP53GRIN2D
SCHEMBL7894774 0.85 GRIN2C (1.00) GRIN2CTP53GRIN2D

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-2010088414-A2 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS EMORY UNIVERSITY (US) 2010-08-05 WO disclosed