SCHEMBL7174829

SCHEMBL7174829

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

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.66
PDE4B Q07343 13/20 0.66
PDE4A P27815 12/20 0.66
PDE4C Q08493 12/20 0.66
PDE7B Q9NP56 1/20 0.55
DNMT3A Q9Y6K1 1/20 0.54

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
SCHEMBL2888216 1.00 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL4011641 0.89 PDE4D (0.63) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6435630 0.88 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL2881703 0.88 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6435624 0.88 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL2886875 0.85 PDE4D (0.63) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL5875874 0.85 PDE4D (0.63) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL2887808 0.84 PDE7B (0.73) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL5528256 0.84 PDE7B (0.73) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL2889809 0.84 PDE4D (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362044-A1 PHTHALAZINONE-PIPERIDINO-DERIVATIVES AS PDE4 INHIBITORS ALTANA Pharma AG (DE) 2003-11-19 EP disclosed
WO-2002064584-A1 PHTHALAYINONE-PIPERIDINO-DERIVATIVES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2002-08-22 WO disclosed