SCHEMBL4669096

SCHEMBL4669096

COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C(=O)C(C)(C)C2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.79
PDE4A P27815 1/20 0.79
PDE4C Q08493 1/20 0.79
PDE4D Q08499 1/20 0.79
PKM P14618 1/20 0.49
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ATM Q13315 1/20 0.37
GBA1 P04062 1/20 0.37

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 0.88 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL2324457 0.87 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPKM
SCHEMBL3452374 0.86 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL6031273 0.86 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DPKM
SCHEMBL3450802 0.85 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL3453181 0.85 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4672854 0.84 PDE4B (0.84) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL2324930 0.83 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPKM
SCHEMBL3450814 0.82 PDE4B (0.77) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3451607 0.82 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DMAPT

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-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
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 disclosed