SCHEMBL4120049

SCHEMBL4120049

CCCCCCCCCn1cnc2c(=O)n(CCC)c(=O)n(CCC)c21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.54
PDE4A P27815 13/20 0.52
PDE4B Q07343 13/20 0.52
PDE4C Q08493 13/20 0.52
PDE4D Q08499 13/20 0.52
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
PDE1C Q14123 1/20 0.52
ADORA2B P29275 6/20 0.48
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TNF P01375 1/20 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
SCHEMBL9287682 0.99 ADORA2A (0.56) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3990425 0.81 PDE4A (0.57) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL10420653 0.77 PDE4A (0.49) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6251096 0.75 PDE4A (0.64) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL21381252 0.74 ADORA2A (0.82) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL28973355 0.74 LMNA (0.62) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL19953694 0.73 LMNA (0.66) ADORA2BHSD17B10
SCHEMBL27483073 0.72 KMT2A (0.48) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11471017 0.72 PDE4A (0.69) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7162120 0.71 ADORA2A (0.47) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001479-A2 CO-ADMINISTRATION OF ADENOSINE A1 RECEPTOR ANTAGONISTS AND ANTICONVULSANTS Novacardia, Inc. (US) 2008-12-17 EP claimed
WO-2007117549-A2 CO-ADMINISTRATION OF ADENOSINE A1 RECEPTOR ANTAGONISTS AND ANTICONVULSANTS NOVACARDIA, INC. (US) 2007-10-18 WO claimed
EP-1755594-A1 COMBINATION THERAPY COMPRISING AN ADENOSINE A1 RECEPTOR ANTAGONIST AND AN ALDOSTERONE INHIBITOR Novacardia, Inc. (US) 2007-02-28 EP claimed
WO-2005105083-A1 COMBINATION THERAPY COMPRISING AN ADENOSINE A1 RECEPTOR ANTAGONIST AND AN ALDOSTERONE INHIBITOR NOVACARDIA, INC. (US) 2005-11-10 WO claimed
EP-2035009-A1 PROLONGED IMPROVEMENT OF RENAL FUNCTION COMPRISING INFREQUENT ADMINISTRATION OF AN AA1RA Novacardia, Inc. (US) 2009-03-18 EP disclosed
EP-2035092-A2 USE OF KW-3902 FOR ACHIEVING DIURESIS IN PATIENTS WITH CONGESTIVE HEART FAILURE AND ACUTE FLUID OVERLOAD Novacardia, Inc. (US) 2009-03-18 EP disclosed
WO-2007149366-A1 PROLONGED IMPROVEMENT OF RENAL FUNCTION COMPRISING INFREQUENT ADMINISTRATION OF AN AA1RA NOVACARDIA, INC. (US) 2007-12-27 WO disclosed
WO-2007149283-A2 USE OF KW-3902 FOR ACHIEVING DIURESIS IN PATIENTS WITH CONGESTIVE HEART FAILURE AND ACUTE FLUID OVERLOAD NOVACARDIA, INC. (US) 2007-12-27 WO disclosed
EP-1603545-A2 METHOD OF TREATMENT OF DISEASE USING AN ADENOSINE A1 RECEPTOR ANTAGONIST Novacardia, Inc. (US) 2005-12-14 EP disclosed
WO-2004075856-A2 ADENOSINE A1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF CARDIAC AND RENAL DISEASES NOVACARDIA, INC. (US) 2004-09-10 WO disclosed