SCHEMBL7215568

SCHEMBL7215568

CCCN(CCC)C(=O)Cn1c(=O)[nH]c2cnc(-c3ccccc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.55
TSPO P30536 1/20 0.52
USP1 O94782 7/20 0.48

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
SCHEMBL7216679 0.90 ADORA3 (0.51) ADORA3TSPOUSP1
SCHEMBL27887734 0.88 TSPO (0.56) ADORA3TSPOUSP1
SCHEMBL2210780 0.83 ADORA3 (0.62) ADORA3USP1
SCHEMBL7210956 0.81 ADORA3 (0.65) ADORA3USP1
SCHEMBL7215331 0.81 ADORA3 (0.68) ADORA3USP1
SCHEMBL7210740 0.79 TSPO (0.62) TSPO
SCHEMBL7210455 0.79 TSPO (0.77) TSPOUSP1
SCHEMBL4147487 0.78 ADORA3 (0.56) ADORA3USP1
SCHEMBL7210910 0.76 ADORA3 (0.84) ADORA3USP1
SCHEMBL7212031 0.72 ADORA3 (0.58) ADORA3USP1

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