SCHEMBL27663197

SCHEMBL27663197

CCCCCOCn1c(=O)c2[nH]cnc2n(C)c1=O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 11/20 0.70
▸ ADORA2A P29274 11/20 0.70
▸ PDE4B Q07343 11/20 0.70
▸ PDE4C Q08493 11/20 0.70
▸ PDE4D Q08499 11/20 0.70
▸ ADORA2B P29275 10/20 0.64
▸ CFTR P13569 1/20 0.56
▸ ADORA3 P0DMS8 2/20 0.55
▸ LMNA P02545 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CHIT1 Q13231 1/20 0.53
▸ CHIA Q9BZP6 1/20 0.53

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
SCHEMBL7455363 0.86 ADORA2A (0.72) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7605748 0.85 ADORA2B (0.63) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL21381258 0.84 PDE4A (0.92) PDE4AADORA2APDE4BPDE4CPDE4D
Iodide SCHEMBL28973314 0.83 PDE4A (0.89) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7458212 0.83 PDE4A (0.89) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7109948 0.83 PDE4A (1.00) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8656750 0.82 PDE4A (0.87) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7603843 0.81 ADORA2B (0.54) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7608745 0.80 ADORA2B (0.71) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7460178 0.80 PDE4A (1.00) PDE4AADORA2APDE4BPDE4CPDE4D

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
CN-1878529-A Combined cosmetic or therapeutic preparation ROVI GMBH & CO KOSMETISCHE ROH (DE) 2006-12-13 — — CN claimed
CN-101511364-B Combination treatment for diabetes mellitus NYCOMED GMBH 2012-08-15 — — CN disclosed
CN-102600144-A Roflumilast for the treatment of diabetes mellitus NYCOMED GMBH 2012-07-25 — — CN disclosed
CN-101137368-B Roflumilast for the treatment of diabetes NYCOMED GMBH 2012-05-16 — — CN disclosed
CN-101874023-A Alkylthio pyrimidines as CRTH2 antagonists ACTIMIS PHARMACEUTICALS INC 2010-10-27 — — CN disclosed
CN-101511364-A Combination treatment for diabetes mellitus NYCOMED GMBH (DE) 2009-08-19 — — CN disclosed
CN-101137368-A Roflumilast for the treatment of diabetes NYCOMED GMBH (DE) 2008-03-05 — — CN disclosed
CN-1878529-A Combined cosmetic or therapeutic preparation ROVI GMBH & CO KOSMETISCHE ROH (DE) 2006-12-13 — — CN disclosed
Send feedback