SCHEMBL7215464

SCHEMBL7215464

CN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.79
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
USP1 O94782 5/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
CXCR3 P49682 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
SCHEMBL7210778 0.93 TSPO (0.69) TSPOKDM4EALDH1A1USP1CXCR3
SCHEMBL7215395 0.92 TSPO (0.67) TSPOKDM4EALDH1A1GRIN1GRIN2B
SCHEMBL29757326 0.88 TSPO (0.62) TSPOKDM4EALDH1A1CXCR3
Emapunil SCHEMBL29388876 0.88 TSPO (1.00) TSPOALDH1A1USP1
Emapunil SCHEMBL4757030 0.88 TSPO (1.00) TSPOALDH1A1USP1
Emapunil SCHEMBL7215605 0.87 TSPO (0.98) TSPOALDH1A1USP1
SCHEMBL7215329 0.85 TSPO (0.59) TSPOKDM4EALDH1A1GRIN1GRIN2B
SCHEMBL7210455 0.82 TSPO (0.77) TSPOUSP1GRIN1GRIN2B
SCHEMBL7210798 0.82 TSPO (0.88) TSPOALDH1A1USP1
SCHEMBL6483612 0.80 TSPO (0.85) TSPOALDH1A1GRIN1GRIN2B

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 10 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 claimed
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 claimed
US-6372740-B1 NERVOUS SYSTEM DISORDERS, ANTIEPILEPTIC AGENTS AND ANTIDEPRESSANTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-04-16 US claimed
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 claimed
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 claimed
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