SCHEMBL7210740

SCHEMBL7210740

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

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.62
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7210455 0.90 TSPO (0.77) TSPO
SCHEMBL6479920 0.87 TSPO (0.82) TSPOKDM4EALDH1A1
SCHEMBL27887760 0.81 TSPO (0.69) TSPOTHRBALDH1A1
SCHEMBL7215568 0.79 ADORA3 (0.55) TSPO
Emapunil SCHEMBL4757030 0.77 TSPO (1.00) TSPOALDH1A1
Emapunil SCHEMBL7215605 0.76 TSPO (0.98) TSPOALDH1A1
SCHEMBL6483612 0.75 TSPO (0.85) TSPOALDH1A1
SCHEMBL7210798 0.73 TSPO (0.88) TSPOALDH1A1
SCHEMBL6482823 0.72 TSPO (0.61) TSPOALDH1A1
SCHEMBL7215464 0.72 TSPO (0.79) TSPOKDM4EALDH1A1

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