SCHEMBL7415859

SCHEMBL7415859

COC(CN(CCc1ccc(OC(F)F)c(OC2CCCC2)c1)C(=N)NC#N)OC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.43
PDE4A P27815 14/20 0.43
PDE4B Q07343 13/20 0.43
PDE4C Q08493 11/20 0.43
RECQL P46063 1/20 0.37
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL7382243 0.84 PDE4B (0.42) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL7415853 0.83 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL7415851 0.83 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL7379529 0.77 PDE4B (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL7148155 0.75 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL7381457 0.74 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL7148139 0.72 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL7148144 0.72 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL7380185 0.71 PDE4B (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL7145897 0.71 HDAC1 (0.48) PDE4DPDE4APDE4BPDE4CRECQL

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-0934280-A1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-08-11 EP disclosed
WO-1998014432-A1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-04-09 WO disclosed