SCHEMBL5255366

SCHEMBL5255366

COc1ccc([C@@H]2CC(=O)N(CCSc3ccccc3)C2)cc1OC1CCCO1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.54
PDE4B Q07343 15/20 0.52
PDE4C Q08493 9/20 0.52
PDE4D Q08499 9/20 0.52

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
SCHEMBL3554083 0.92 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL3544886 0.92 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL3540290 0.92 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL5194231 0.92 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL5194095 0.90 PDE4B (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL3541907 0.90 PDE4B (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL3548043 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL5762460 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL5760783 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL5807740 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D

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-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
WO-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
EP-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 EP disclosed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO disclosed