SCHEMBL6602507

SCHEMBL6602507

CCOC(=O)c1ccc(-c2cccc(NC(=O)NCc3ccn(-c4cc5c(cc4C(F)(F)F)NC(=O)C(C(=O)OCC)N5)c3)c2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 14/20 0.53
GRIA2 P42262 14/20 0.53
GRIA3 P42263 14/20 0.53
GRIA4 P48058 14/20 0.53
GRIK1 P39086 11/20 0.48
GRIK2 Q13002 11/20 0.48
GRIK3 Q13003 11/20 0.48
GRIK4 Q16099 11/20 0.48
GRIK5 Q16478 11/20 0.48
EPHX2 P34913 1/20 0.34
MAPT P10636 4/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6605459 0.88 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602707 0.88 GRIA1 (0.69) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6602504 0.86 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6378080 0.77 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIK1
Hydrochloric Acid SCHEMBL6603295 0.76 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6605330 0.72 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6604215 0.68 GRIA1 (0.65) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6604533 0.68 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7972415 0.67 GRIA1 (0.85) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6378073 0.66 MAPT (0.36) 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