SCHEMBL4672854

SCHEMBL4672854

COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc(C)c4O)CC3)C(=O)C(C)(C)C2)cc1OC

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.84
PDE4A P27815 1/20 0.84
PDE4C Q08493 1/20 0.84
PDE4D Q08499 1/20 0.84
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR6 P50406 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3451767 0.92 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL4670367 0.85 PDE4B (0.73) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3451607 0.85 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3450814 0.84 PDE4B (0.77) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL4669096 0.84 PDE4B (0.79) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3453181 0.83 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3453010 0.82 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL3450802 0.81 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3452374 0.79 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL2325252 0.78 PDE4B (0.75) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716133-B1 2-(PIPERIDIN-4-YL)-4,5-DIHYDRO-2H-PYRIDAZIN-3-ONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2008-03-26 EP claimed