Denbufylline

Denbufylline

SCHEMBL127152

CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 1.00
PDE4B Q07343 11/20 1.00
PDE4C Q08493 11/20 1.00
PDE4D Q08499 11/20 1.00
ADORA2A P29274 6/20 1.00
ADORA2B P29275 4/20 1.00
CYP1A2 P05177 2/20 0.60
BLM P54132 2/20 0.60
PMP22 Q01453 2/20 0.60
LMNA P02545 1/20 0.60
ESR1 P03372 1/20 0.60
MAPT P10636 1/20 0.60
NFKB1 P19838 1/20 0.60
ACHE P22303 1/20 0.60
TRPA1 O75762 1/20 0.57
CYP3A4 P08684 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CNOT7 Q9UIV1 1/20 0.51

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
Denbufylline SCHEMBL7299526 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
Denbufylline SCHEMBL11044404 0.99 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10872056 0.97 PDE4A (0.95) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7323464 0.96 PDE4A (0.93) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10694108 0.95 PDE4A (0.91) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10695543 0.95 PDE4A (0.91) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9853391 0.94 PDE4A (0.88) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10694974 0.92 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10694979 0.92 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10697104 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DADORA2A

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

Appears in 2235 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828242-B1 NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYLATE AS AGONIST OF THE ß2 ADRENERGIC RECEPTOR. ALMIRALL SA (ES) 2017-10-04 EP claimed
US-20170049756-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS GRAS ESCARDO JORDI (ES) 2017-02-23 US claimed
CN-104203918-B Novel polymorphic crystal forms of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-(r)-hydroxyethyl)-8-hydroxyquinolin-2(1h)-one, heminapadisylate as agonist of the beta2 adrenergic receptor. 阿尔米雷尔有限公司 2017-01-18 CN claimed
US-9387263-B2 RbAp48 transgenic mice for drug discovery in age-related memory decline THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-07-12 US claimed
US-9346759-B2 Polymorphic crystal forms of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-(R)-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one, heminapadisytlate as agonist of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2016-05-24 US claimed
US-20150306079-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS GRAS ESCARDO JORDI (ES) 2015-10-29 US claimed
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-04-30 US claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
US-20150080359-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS GRAS ESCARDO JORDI (ES) 2015-03-19 US claimed
US-20150065471-A1 SALTS OF 5-[(1R)-2-(AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2015-03-05 US claimed
US-4784999-A Novel treatment BEECHAM WUELFING GMBH & CO. KG (DE) 1988-11-15 US claimed
EP-0267676-A2 Use of 1,3-di-n-butyl-7-(2-oxypropyl) xanthine in the treatment of cerebrovascular or cerebral senility associated disorders, peripheral vascular disease and proliferative skin diseases Beecham Wuelfing GmbH & Co KG (DE) 1988-05-18 EP claimed
US-4657910-A Treatment of cerebrovascular disorders and/or disorders associated with cerebral senility BEECHAM-WUELFING GMBH & CO. KG (DE) 1987-04-14 US claimed
EP-0005015-B1 USE OF A XANTHINE DERIVATE IN THE MANUFACTURE OF A MEDICAMENT BEECHAM - WUELFING GmbH & Co. KG (DE) 1986-10-29 EP claimed
EP-0195496-A2 Use of xanthines in the treatment of proliferative skin disease BEECHAM GROUP PLC (GB) 1986-09-24 EP claimed
EP-0173039-A2 Use of xanthine and thioxanthine derivatives for the preparation of medicaments BEECHAM - WUELFING GmbH & Co. KG (DE) 1986-03-05 EP claimed
US-4256750-A Pharmaceutical compositions Wulfing, Johann A. (DE) 1981-03-17 US claimed
US-4242345-A VASODILATORS Wulfing, Johann A. (DE) 1980-12-30 US claimed
US-4225607-A TREATMENT OF PERIPHERAL VASCULAR DISEASE Wulfing, Johann A. (DE) 1980-09-30 US claimed
EP-0005015-A1 Use of a xanthine derivate in the manufacture of a medicament BEECHAM - WUELFING GmbH & Co. KG (DE) 1979-10-31 EP claimed