SCHEMBL7210455

SCHEMBL7210455

CCCN(CCC)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.77
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
USP1 O94782 3/20 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
SCHEMBL7210740 0.90 TSPO (0.62) TSPO
Emapunil SCHEMBL29388876 0.87 TSPO (1.00) TSPOUSP1
Emapunil SCHEMBL4757030 0.87 TSPO (1.00) TSPOUSP1
Emapunil SCHEMBL7215605 0.86 TSPO (0.98) TSPOUSP1
SCHEMBL7215464 0.82 TSPO (0.79) TSPOGRIN1GRIN2BUSP1
SCHEMBL7210798 0.81 TSPO (0.88) TSPOUSP1
SCHEMBL7215568 0.79 ADORA3 (0.55) TSPOUSP1
SCHEMBL6483612 0.79 TSPO (0.85) TSPOGRIN1GRIN2B
SCHEMBL27887760 0.79 TSPO (0.69) TSPOUSP1
SCHEMBL6481457 0.79 TSPO (0.61) TSPOUSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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