SCHEMBL6605330

SCHEMBL6605330

CCOC(=O)C1Nc2cc(-n3ccc(C=O)c3)c(C(F)(F)F)cc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 7/20 0.47
GRIA2 P42262 7/20 0.47
GRIA3 P42263 7/20 0.47
GRIA4 P48058 7/20 0.47
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
GRIK3 Q13003 2/20 0.33
GRIK4 Q16099 2/20 0.33
GRIK5 Q16478 2/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6376380 0.88 HSD17B10 (0.34) GRIA1GRIA2GRIA3GRIA4TP53
SCHEMBL6375989 0.88 MAPT (0.38) GRIA1GRIA2GRIA3GRIA4TP53
Hydrochloric Acid SCHEMBL6603295 0.85 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602707 0.77 GRIA1 (0.69) GRIA1GRIA2GRIA3GRIA4GRIK1
Hydrochloric Acid SCHEMBL6606845 0.77 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6603338 0.75 KDM4E (0.36) TP53POLBMAPTKDM4EMEN1
SCHEMBL6605459 0.75 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602507 0.72 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL9704892 0.71 MAPT (0.46) TP53POLBMAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL6378430 0.71 TP53 (0.34) GRIA1GRIA2GRIA3GRIA4GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020453-B1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-05-19 EP disclosed
US-6348461-B1 CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1020453-A1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed