SCHEMBL6375260

SCHEMBL6375260

CCOC(=O)c1nc2cc(-n3cnc(CO)c3)c(Cl)cc2nc1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.43
NOTUM Q6P988 1/20 0.39
GABRA2 P47869 8/20 0.37
GABRB2 P47870 8/20 0.37
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR9 Q9NR96 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL6376375 0.88 GLP1R (0.34) GLP1RNOTUMGABRA2NPC1ALDH1A1
SCHEMBL6375996 0.85 GLP1R (0.43) GLP1RNOTUMGABRA2GABRB2NPC1
SCHEMBL6595978 0.85 NOTUM (0.39) GLP1RNOTUMGABRA2GABRB2ALDH1A1
SCHEMBL6380913 0.85 GRIA1 (0.41) ALDH1A1
SCHEMBL6377440 0.82 GRIA1 (0.42)
SCHEMBL6600183 0.73 L3MBTL1 (0.43) NOTUMNPC1ALDH1A1MAPTL3MBTL1
SCHEMBL6606958 0.72 ALDH1A1 (0.36) NPC1ALDH1A1MAPTXBP1NPSR1
SCHEMBL6381602 0.71 GLP1R (0.49) GLP1RNPC1ALDH1A1TP53MAPT
SCHEMBL6595746 0.71 NOTUM (0.38) GLP1RNOTUMGABRA2GABRB2ALDH1A1
SCHEMBL6595960 0.71 ALDH1A1 (0.38) ALDH1A1XBP1NPSR1

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-1156047-B1 6-SUBSTITUTED-7- HETEROQUINOXALINE CARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2005-08-31 EP disclosed
US-6632813-B1 6-subtituted-7-heteroquinoxalinecarboxylic acid derivatives and addition salts thereof and processes for the preparation of both KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-10-14 US disclosed
EP-1156047-A1 6-SUBSTITUTED-7- HETEROQUINOXALINE CARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed