SCHEMBL7964396

SCHEMBL7964396

Cc1ccc(NC(=O)N(C)Cc2c(C)c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
GUSB P08236 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 5/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
MAPT P10636 2/20 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
SCHEMBL7960263 0.85 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7960858 0.83 ALDH1A1 (0.48) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7961923 0.82 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7958054 0.81 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7958315 0.81 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL7949818 0.79 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL7959292 0.77 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7948153 0.77 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7955952 0.77 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7464140 0.77 GRIA1 (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172065-B1 CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2001-01-09 US claimed
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO claimed
US-6172065-B1 CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2001-01-09 US disclosed
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO disclosed