SCHEMBL5875876

SCHEMBL5875876

CCOc1ccc(C2=NN(C3CCN(C(=O)NC(C)(C)C)CC3)C(=O)C3CC=CCC23)cc1OCC

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.57
PDE4B Q07343 16/20 0.55
PDE4A P27815 15/20 0.55
PDE4C Q08493 15/20 0.55
PDE7B Q9NP56 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
SCHEMBL2888335 1.00 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6286337 0.89 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL2887789 0.89 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL2881703 0.88 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6435630 0.88 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6435624 0.88 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL2884980 0.87 PDE4D (0.60) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL5875861 0.87 PDE4D (0.60) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL4011641 0.85 PDE4D (0.63) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL2887808 0.84 PDE7B (0.73) PDE4DPDE4BPDE4APDE4CPDE7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006528229-A 2006-12-14 JP claimed
EP-1628682-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR ALTANA Pharma AG (DE) 2006-03-01 EP claimed
EP-1587512-A2 PDE4 INHIBITORS FOR THE TREATMENT OF NEOPLASMS OF LYMPHOID CELLS ALTANA Pharma AG (DE) 2005-10-26 EP claimed
WO-2004103407-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR ALTANA PHARMA AG (DE) 2004-12-02 WO claimed
WO-2004098633-A1 COMPOSITION COMPRISING A PDE-4 INHIBITOR AND A TNF ALPHA ANTAGONIST ALTANA PHARMA AG (DE) 2004-11-18 WO claimed
WO-2004098606-A1 COMPOSITION COMPRISING A PDE4 INHIBITOR AND SHUIL-1R II ALTANA PHARMA AG (DE) 2004-11-18 WO claimed
WO-2004098578-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A TNF-ALFA ANTAGONIST SELECTED FROM INFLIXIMAB, ADALIMUMAB, CDP870 AND CDP517 ALTANA PHARMA AG (DE) 2004-11-18 WO claimed
WO-2004062671-A2 PDE4 INHIBITORS FOR THE TREATMENT OF NEOPLASMS OF LYMPHOID CELLS ALTANA PHARMA AG (DE) 2004-07-29 WO claimed
EP-1587512-A2 PDE4 INHIBITORS FOR THE TREATMENT OF NEOPLASMS OF LYMPHOID CELLS ALTANA Pharma AG (DE) 2005-10-26 EP disclosed
EP-1482938-A1 PHARMACEUTICAL COMPOSITION OF A PDE4 OR A PDE3/4 INHIBITOR AND A HISTAMINE RECEPTOR ANTAGONIST ALTANA Pharma AG (DE) 2004-12-08 EP disclosed
WO-2004098606-A1 COMPOSITION COMPRISING A PDE4 INHIBITOR AND SHUIL-1R II ALTANA PHARMA AG (DE) 2004-11-18 WO disclosed
WO-2004098578-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A TNF-ALFA ANTAGONIST SELECTED FROM INFLIXIMAB, ADALIMUMAB, CDP870 AND CDP517 ALTANA PHARMA AG (DE) 2004-11-18 WO disclosed
WO-2004062671-A2 PDE4 INHIBITORS FOR THE TREATMENT OF NEOPLASMS OF LYMPHOID CELLS ALTANA PHARMA AG (DE) 2004-07-29 WO disclosed
WO-2003074055-A1 PHARMACEUTICAL COMPOSITION OF A PDE4 OR A PDE3/4 INHIBITOR AND A HISTAMINE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-09-12 WO disclosed