SCHEMBL7149759

SCHEMBL7149759

COc1ccc(CC#N)cc1OC1CCOC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.54
PDE4B Q07343 12/20 0.54
PDE4A P27815 10/20 0.54
PDE4C Q08493 9/20 0.54
CHEK1 O14757 1/20 0.42

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
SCHEMBL7146146 0.85 PDE4D (0.54) PDE4DPDE4BPDE4APDE4C
SCHEMBL3170776 0.83 PDE4B (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL7360862 0.81 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CCHEK1
SCHEMBL6609750 0.78 PDE4B (0.44) PDE4DPDE4BPDE4APDE4CCHEK1
SCHEMBL6583627 0.78 PDE4D (0.72) PDE4DPDE4BPDE4APDE4C
SCHEMBL7147675 0.77 PDE4B (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL1774371 0.76 PDE4D (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL7353099 0.76 PDE4D (0.60) PDE4DPDE4BPDE4APDE4CCHEK1
SCHEMBL5704671 0.76 PDE4D (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL1773367 0.76 PDE4D (0.57) PDE4DPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934280-B1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-09 EP disclosed
US-6051718-A A PHOSPHODIESTERASE ENZYME INHIBITOR AND A CYTOKINE ANTAGONIST FOR TREATING ALLERGIC, ATOPIC AND INFLAMMATORY DISEASES INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-04-18 US disclosed
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