SCHEMBL7217013

SCHEMBL7217013

CCN(C(=O)Cn1c(=O)n(C)c2nc(-c3ccccc3)ncc21)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.58
GRIN1 Q05586 9/20 0.43
GRIN2B Q13224 9/20 0.43

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
SCHEMBL6482823 0.94 TSPO (0.61) TSPOGRIN1GRIN2B
Hydrochloric Acid SCHEMBL7212073 0.93 TSPO (0.60) TSPOGRIN1GRIN2B
SCHEMBL7212080 0.90 TSPO (0.55) TSPOGRIN1GRIN2B
SCHEMBL7210705 0.88 TSPO (0.54) TSPOGRIN1GRIN2B
SCHEMBL7216373 0.85 TSPO (0.55) TSPOGRIN1GRIN2B
SCHEMBL7215601 0.82 TSPO (0.58) TSPOGRIN1GRIN2B
SCHEMBL6483612 0.81 TSPO (0.85) TSPOGRIN1GRIN2B
SCHEMBL7210493 0.81 TSPO (0.51) TSPOGRIN1GRIN2B
SCHEMBL7210797 0.80 TSPO (0.57) TSPOGRIN1GRIN2B
SCHEMBL7216925 0.79 TSPO (0.56) TSPOGRIN1GRIN2B

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-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