SCHEMBL7569079

SCHEMBL7569079

CCOC(=O)CN(C)Cc1c(CC)c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 1.00
GRIA2 P42262 5/20 1.00
GRIA3 P42263 5/20 1.00
GRIA4 P48058 5/20 1.00
GRIN2D O15399 6/20 0.45
GRIN3B O60391 6/20 0.45
GRIN1 Q05586 6/20 0.45
GRIN2A Q12879 6/20 0.45
GRIN2B Q13224 6/20 0.45
GRIN2C Q14957 6/20 0.45
GRIN3A Q8TCU5 6/20 0.45
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 1/20 0.40
GRIK4 Q16099 1/20 0.40
GRIK5 Q16478 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8636235 0.91 GRIA1 (0.83) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7571587 0.87 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIN2D
Ammonia Solution, Strong SCHEMBL7591992 0.86 GRIA1 (0.98) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7564514 0.77 GRIA1 (0.62) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7593716 0.76 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL7948153 0.76 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL9230821 0.76 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7567780 0.72 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7567792 0.72 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7958054 0.71 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIN2D

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832074-B1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-09-04 EP claimed
EP-0832074-A1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-04-01 EP claimed
WO-1996040649-A1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-12-19 WO claimed
EP-0832074-B1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-09-04 EP disclosed
US-5614508-A ANTIISCHEMIC AGENTS, ALZHEIMERS, STROKE OR NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1997-03-25 US disclosed
WO-1996040649-A1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-12-19 WO disclosed