SCHEMBL7323535

SCHEMBL7323535

COc1ccc(CC(C#N)c2cccnc2)cc1OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.61
PDE4D Q08499 3/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53

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
SCHEMBL1388410 0.88 PDE4A (0.62) PDE4APDE4DPDE4BPDE4C
SCHEMBL7391023 0.81 PDE4A (0.71) PDE4APDE4DPDE4BPDE4C
SCHEMBL7321222 0.81 PDE4A (0.53) PDE4APDE4DPDE4BPDE4C
SCHEMBL7312410 0.81 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL7355462 0.77 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL7608093 0.76 PDE4A (1.00) PDE4APDE4DPDE4BPDE4C
SCHEMBL6758304 0.76 PDE4A (1.00) PDE4APDE4DPDE4BPDE4C
SCHEMBL27726708 0.74 PDE4B (0.55) PDE4APDE4DPDE4BPDE4C
SCHEMBL29061976 0.73 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C
SCHEMBL29061973 0.73 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C

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
US-5739144-A INHIBITORS OF PHOSPHODIESTERASE ENZYMES CELLTECH THERAPEUTICS LIMITED (GB) 1998-04-14 US disclosed