SCHEMBL7565564

SCHEMBL7565564

C=Cc1c(Br)cc(N)c(N)c1CN(C)CC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.45
GRIA2 P42262 3/20 0.45
GRIA3 P42263 3/20 0.45
GRIA4 P48058 3/20 0.45
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
F2 P00734 2/20 0.31
KLK1 P06870 2/20 0.31
PRSS1 P07477 2/20 0.31
LTA4H P09960 1/20 0.31
CNKSR1 Q969H4 1/20 0.30

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
SCHEMBL7566388 0.86 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7566004 0.84 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL27459486 0.77 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4
SCHEMBL27433911 0.77 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7566874 0.76 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7563841 0.73 ALDH1A1 (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL10258517 0.66 KDM4E (0.44) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL10556095 0.65 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL27486507 0.65 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL3147669 0.65 PPID (0.50) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1125818-C Amino acid derivatives of substituted quinoxaline 2, 3 -dione derivativesa as glutamate receptor antagonists WARNER LAMBERT CO (US) 2003-10-29 CN disclosed
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
EP-1232191-A1 MECHANICALLY STABLE HYDROGEL-FORMING POLYMERS BASF AKTIENGESELLSCHAFT (DE) 2002-08-21 EP disclosed
WO-2001025290-A1 MECHANICALLY STABLE HYDROGEL-FORMING POLYMERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-12 WO disclosed
CN-1187190-A Amino acid derivatives of substituted quinoxaline 2, 3-dione derivatives as glutamate receptor antagonists WARNER LAMBERT CO (US) 1998-07-08 CN 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