SCHEMBL6529700

SCHEMBL6529700

COc1ccc(N(c2ccc(C(=O)NS(C)(=O)=O)cc2)C(O)c2cccnc2)cc1O[C@@H]1CCOC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.45
PDE4A P27815 7/20 0.44
PDE4B Q07343 7/20 0.44
PDE4C Q08493 7/20 0.44
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
SCN9A Q15858 5/20 0.40

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
SCHEMBL6527184 0.89 PTGS2 (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL6532108 0.89 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL6528413 0.88 PIK3CA (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL6529696 0.85 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL6532215 0.81 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL6469431 0.81 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL6530112 0.79 PDE4A (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL2926125 0.78 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL2932029 0.77 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL6532820 0.76 PDE4D (0.50) PDE4DPDE4APDE4BPDE4C

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-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