SCHEMBL4670367

SCHEMBL4670367

COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4ccc(C)c(O)c4)CC3)C(=O)C(C)(C)C2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.73
PDE4A P27815 1/20 0.73
PDE4C Q08493 1/20 0.73
PDE4D Q08499 1/20 0.73
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NPC1 O15118 1/20 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
SCHEMBL3450814 0.89 PDE4B (0.77) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3451607 0.87 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL4672854 0.85 PDE4B (0.84) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3451767 0.85 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3452374 0.84 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3450802 0.82 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL3453010 0.82 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL4669096 0.79 PDE4B (0.79) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3453181 0.78 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL4669091 0.76 PDE4B (0.63) 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