SCHEMBL7144718

SCHEMBL7144718

COc1ccc(C(CNC(=NCC(OC)OC)NC#N)OC2CCCCO2)cc1OC1Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.39
PDE4A P27815 13/20 0.34
PDE4C Q08493 8/20 0.34
PDE4D Q08499 8/20 0.34
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 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
SCHEMBL7144717 0.88 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7144716 0.88 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7143470 0.83 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL7417732 0.82 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7417737 0.78 PDE4B (0.37) PDE4BPDE4APDE4CPDE4D
SCHEMBL7146095 0.77 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7142709 0.75 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL8212173 0.71 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL7144832 0.71 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL7150885 0.71 PDE4B (0.52) 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 2 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