SCHEMBL3489064

SCHEMBL3489064

CC(C)C(C)n1c(=O)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.55
PDE4A P27815 6/20 0.55
PDE4B Q07343 6/20 0.55
PDE4C Q08493 6/20 0.55
PDE4D Q08499 6/20 0.55
ADORA2B P29275 7/20 0.52
ADORA1 P30542 3/20 0.52
ADORA3 P0DMS8 3/20 0.52
PDE3A Q14432 2/20 0.52
HPGD P15428 1/20 0.52
BLM P54132 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PNP P00491 2/20 0.47
MPO P05164 3/20 0.39
TPO P07202 3/20 0.39
ATAD2 Q6PL18 1/20 0.38
CFTR P13569 2/20 0.38
CYP3A4 P08684 2/20 0.38
PDE2A O00408 1/20 0.38
PDE5A O76074 1/20 0.38

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
SCHEMBL20653044 0.87 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL150602 0.75 ADORA2B (0.59) ADORA2APDE4APDE4BPDE4CPDE4D
3-Methylxanthine SCHEMBL237146 0.75 ADORA2A (0.64) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6662593 0.75 PNP (0.57) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6310571 0.74 ADORA2A (0.70) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL295963 0.74 ADORA2B (0.78) ADORA2APDE4APDE4BPDE4CPDE4D
3-Methylxanthine SCHEMBL30753411 0.73 ADORA2A (0.62) ADORA2APDE4APDE4BPDE4CPDE4D
3-Methylxanthine SCHEMBL9317914 0.73 ADORA2A (0.62) ADORA2APDE4APDE4BPDE4CPDE4D
3-Methylxanthine SCHEMBL4020124 0.73 ADORA2A (0.62) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6458349 0.73 PDE2A (0.38) ADORA2AADORA2BADORA1HPGDPDE2A

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
US-10106797-B2 Methods for suppressing adipocyte differentiation SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2018-10-23 US disclosed
US-20160160219-A1 COMPOSITION CONTAINING PPAR-gamma NEDDYLATION INHIBITOR FOR INHIBITING ADIPOCYTE DIFFERENTIATION AND USE THEREOF SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2016-06-09 US disclosed
WO-2015009094-A1 COMPOSITION CONTAINING PPAR-Ν NEDDYLATION INHIBITOR FOR INHIBITING ADIPOCYTE DIFFERENTIATION AND USE THEREOF 서울대학교산학협력단 (KR) 2015-01-22 WO disclosed
US-20100062038-A1 Markers, Antibodies and Recombinant scFvs for Mesenchymal Stem Cell Sub-populations and Osteoclasts NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) 2010-03-11 US disclosed
EP-2118272-A2 MARKERS, ANTIBODIES AND RECOMBINANT SCFVS FOR MESENCHYMAL STEM CELL-SUB-POPULATIONS AND OSTEOCLASTS National University of Ireland, Galway (IE) 2009-11-18 EP disclosed
WO-2008110578-A2 MARKERS, ANTIBODIES AND RECOMBINANT SCFVS FOR MESENCHYMAL STEM CELL-SUB-POPULATIONS AND OSTEOCLASTS NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) 2008-09-18 WO disclosed
US-20060094013-A1 Salt-inducible kinases 2 and use thereof TAKEMORI, HIROSHI (JP) 2006-05-04 US disclosed
EP-1468078-A1 METHOD AND DEVICE FOR IDENTIFYING SUBSTANCES CAPABLE OF MODULATING ADIPOCYTE DIFFERENTIATION Genfit (FR) 2004-10-20 EP disclosed
WO-2003060106-A1 METHOD AND DEVICE FOR IDENTIFYING SUBSTANCES CAPABLE OF MODULATING ADIPOCYTE DIFFERENTIATION GENFIT (FR) 2003-07-24 WO disclosed
US-5756467-A USEFUL IN PREVENTION AND THERAPY OF OBESITY AND CARDIOVASCULAR DISEASES IN HUMANS AND ANIMALS; ADMINISTERING IN FOOD AND FEEDS ITOHAM FOODS INC. (JP) 1998-05-26 US disclosed