SCHEMBL4014471

SCHEMBL4014471

CC(C)C(=O)Cn1c(=O)[nH]c2nc[nH]c2c1=O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.63
PDE4A P27815 6/20 0.63
PDE4B Q07343 6/20 0.63
PDE4C Q08493 6/20 0.63
PDE4D Q08499 6/20 0.63
ADORA2B P29275 10/20 0.60
ADORA3 P0DMS8 7/20 0.60
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
CFTR P13569 1/20 0.39
HPGD P15428 1/20 0.38
ADORA1 P30542 1/20 0.38
BLM P54132 1/20 0.38
PDE3A Q14432 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7326382 0.85 PDE4A (0.68) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7326960 0.81 ADORA2A (0.67) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL60158 0.80 ADORA2A (0.70) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL27396492 0.78 ADORA2A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL380135 0.78 ADORA2A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL59949 0.78 ADORA2B (0.72) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7217322 0.77 ADORA2A (0.97) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL985620 0.76 ADORA2B (0.63) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4602969 0.76 ADORA2B (0.73) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4423680 0.76 ADORA2B (1.00) ADORA2APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114146229-A Preparation method of nanofiber scaffold and method for constructing tissue engineering material by adopting nanofiber scaffold and melanocytes 上海麦野生物科技有限公司 2022-03-08 CN disclosed
US-20090148546-A1 Methods and compounds fo rthe treatment of obesity and obesity-related disorders BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2009-06-11 US disclosed
US-7479540-B1 Adipomodulin and related molecules and methods PRASAD CHANDAN 2009-01-20 US disclosed
WO-2006086764-A2 METHODS AND COMPOUNDS FOR THE TREATMENT OF OBESITY AND OBESITY-RELATED DISORDERS THE BOARD OF SUPERVISOR OF LOUISIANA STATE UNIVERSITY AGRICULTURAL AND MECHANICAL COLLEGE (US) 2006-08-17 WO disclosed
US-20060182825-A1 Methods and compounds for the treatment of obesity and obesity-related disorders THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2006-08-17 US disclosed