SCHEMBL6470116

SCHEMBL6470116

COc1ccc(N(c2ccc(C(=O)O)c(Cl)c2)C(O)c2cccnc2)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.50
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
PDE4D Q08499 6/20 0.47
PDE4B Q07343 5/20 0.47
PDE4C Q08493 5/20 0.47
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 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
SCHEMBL6465669 0.85 PDE4A (0.51) PDE4APDE4DPDE4BPDE4C
SCHEMBL2929760 0.84 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CMKNK1
SCHEMBL4196752 0.83 PDE4A (0.55) PDE4AADRB1ADRB3PDE4DPDE4B
SCHEMBL6469266 0.83 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CMKNK1
SCHEMBL4830414 0.79 PDE4A (0.47) PDE4AADRB1ADRB3PDE4DPDE4B
SCHEMBL3130695 0.79 PDE4A (0.54) PDE4APDE4DPDE4BPDE4C
SCHEMBL4199336 0.78 PDE4A (0.54) PDE4APDE4DPDE4BPDE4CMKNK1
SCHEMBL6527339 0.77 PDE4A (0.47) PDE4AADRB1ADRB3PDE4DPDE4B
SCHEMBL6470078 0.77 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL6533002 0.76 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569908-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-09-07 EP claimed
WO-2004046113-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-06-03 WO claimed
EP-1569908-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-09-07 EP disclosed
WO-2004046113-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-06-03 WO disclosed