SCHEMBL7142709

SCHEMBL7142709

COc1ccc(C(C#N)OC2CCCCO2)cc1OC1Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.43
PDE4A P27815 13/20 0.42
PDE4D Q08499 8/20 0.42
PDE4C Q08493 7/20 0.42
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 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
SCHEMBL7149298 0.79 PDE4B (0.51) PDE4BPDE4APDE4DPDE4C
SCHEMBL7144717 0.77 PDE4B (0.39) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL7417737 0.77 PDE4B (0.37) PDE4BPDE4APDE4DPDE4C
SCHEMBL7144716 0.77 PDE4B (0.39) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL7417732 0.76 PDE4B (0.40) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL7144718 0.75 PDE4B (0.39) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL4052862 0.75 SLC6A3 (0.41)
SCHEMBL7365345 0.74 PDE4B (0.49) PDE4BPDE4APDE4DPDE4C
SCHEMBL4049568 0.73 MEN1 (0.33)
SCHEMBL6586771 0.71 PDE4B (0.50) PDE4BPDE4APDE4DPDE4C

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