SCHEMBL6466878

SCHEMBL6466878

OC(c1cccnc1)N(c1cccnc1)c1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.55
PDE4B Q07343 14/20 0.55
PDE4A P27815 12/20 0.55
PDE4C Q08493 12/20 0.55
PDE5A O76074 1/20 0.50
ABCB11 O95342 1/20 0.44
CNR2 P34972 1/20 0.42

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
SCHEMBL6469942 0.85 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL1157930 0.80 PDE4D (0.52) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL2926106 0.80 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL3127976 0.79 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL1157762 0.78 PDE4D (0.52) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL6532820 0.76 PDE4D (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL2930583 0.75 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL1157297 0.74 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL3120236 0.73 PDE4D (0.58) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL6528128 0.73 ALDH1A1 (0.41) PDE4DPDE4BPDE4APDE4CPDE5A

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