SCHEMBL7007286

SCHEMBL7007286

CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cc3ccc(Cl)s3)sc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 8/20 0.38
PDE1A P54750 7/20 0.38
PDE1C Q14123 7/20 0.38
PDE2A O00408 4/20 0.38
GAA P10253 1/20 0.38
SLC16A1 P53985 7/20 0.37
ALDH1A1 P00352 1/20 0.36
PARG Q86W56 1/20 0.36
CYP2C9 P11712 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
CAMK2B Q13554 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
CYP3A4 P08684 2/20 0.35
PDE5A O76074 1/20 0.35
CYP1A2 P05177 1/20 0.35
CFTR P13569 1/20 0.35
TSHR P16473 1/20 0.35
PDE4A P27815 1/20 0.35
MAPK1 P28482 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL7010765 0.83 SLC16A1 (0.38) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL7014557 0.83 PDE1A (0.42) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL5864669 0.82 PDE1B (0.47) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL7006740 0.81 PDE1A (0.38) PDE1BPDE1APDE1CPDE2AGAA
SCHEMBL5864838 0.81 ALDH1A1 (0.41) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL7011267 0.81 PDE1B (0.39) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL5864963 0.80 NPSR1 (0.38) PDE1BPDE1APDE1CPDE2AGAA
SCHEMBL5865214 0.80 ALDH1A1 (0.45) GAASLC16A1ALDH1A1CYP2C9MAPKAPK2
SCHEMBL7007998 0.79 PDE1B (0.37) PDE1BPDE1APDE1CPDE2AGAA
SCHEMBL5864895 0.79 PDE3B (0.47) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP claimed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US claimed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP claimed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO claimed
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP disclosed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed