SCHEMBL7210797

SCHEMBL7210797

Cn1c(=O)n(CC(=O)O)c2cnc(-c3ccccc3)nc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.57
APEX1 P27695 1/20 0.47
GRIN1 Q05586 4/20 0.46
GRIN2B Q13224 4/20 0.46
ADORA2B P29275 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
GRM2 Q14416 1/20 0.44
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7217070 0.88 TSPO (0.53) TSPOGRIN1GRIN2BGRM2
SCHEMBL7212081 0.86 LMNA (0.60) TSPO
SCHEMBL7216925 0.86 TSPO (0.56) TSPOGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL7215601 0.85 TSPO (0.58) TSPOGRIN1GRIN2B
SCHEMBL7215395 0.84 TSPO (0.67) TSPOGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL6482823 0.84 TSPO (0.61) TSPOGRIN1GRIN2BALDH1A1
Hydrochloric Acid SCHEMBL7212073 0.83 TSPO (0.60) TSPOGRIN1GRIN2BALDH1A1
SCHEMBL7667245 0.82 GRIN1 (0.49) TSPOGRIN1GRIN2B
SCHEMBL7216373 0.82 TSPO (0.55) TSPOGRIN1GRIN2B
SCHEMBL6483612 0.82 TSPO (0.85) TSPOGRIN1GRIN2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1146566-C 2-aryl-8-oxodihydropurine derivatives, process for producting same, medicinal conty. same, and intermediates thereof �ձ���ҩ��ʽ���� 2004-04-21 CN disclosed
EP-1036794-B1 2-ARYL-8-OXODIHYDROPURINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2003-08-27 EP disclosed
US-6372740-B1 NERVOUS SYSTEM DISORDERS, ANTIEPILEPTIC AGENTS AND ANTIDEPRESSANTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-04-16 US disclosed
CN-1284076-A 2-aryl-8-oxodihydropurine derivatives, process for producting same, medicinal conty. same, and intermediates thereof DAINIPPON PHARMACEUTICAL CO (JP) 2001-02-14 CN disclosed
EP-1036794-A1 2-ARYL-8-OXODIHYDROPURINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 2000-09-20 EP disclosed