SCHEMBL4669435

SCHEMBL4669435

COc1ccccc1C(=O)N1CCC(N2N=C(c3cccc(OC)c3OC)CC(C)(C)C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
HSD11B1 P28845 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.44
MGLL Q99685 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK14 Q16539 1/20 0.44
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3453330 0.84 PDE4B (0.64) KDM4EHSD11B1PDE4BPDE4APDE4C
SCHEMBL3452263 0.73 PDE4B (0.53) KDM4EPDE4BPDE4APDE4CPDE4D
SCHEMBL2324279 0.73 PDE4B (0.69) KDM4EPDE4BKMT2ATSHRCYP2C9
SCHEMBL2327729 0.71 PDE4B (0.60) KDM4EPDE4B
SCHEMBL2327263 0.71 PDE4B (0.48) KDM4EPDE4BPDE4APDE4CPDE4D
SCHEMBL3453216 0.70 PDE4B (0.77) PDE4BPDE4APDE4CPDE4D
SCHEMBL2328052 0.68 PDE4B (0.71) PDE4BPDE4APDE4CPDE4D
SCHEMBL2324447 0.68 PDE4B (0.64) PDE4BKMT2ATSHRCYP2C9CYP2C19
SCHEMBL14251185 0.67 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL2324278 0.67 PDE4B (0.45) KDM4EPDE4BPDE4APDE4CPDE4D

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 disclosed