SCHEMBL7334529

SCHEMBL7334529

COc1ccc(-c2ncccc2CCc2ccc(C(=O)N3CCCC3)cc2)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.47
PDE4D Q08499 9/20 0.47
PDE4A P27815 8/20 0.47
PDE4C Q08493 7/20 0.47
EPHX2 P34913 2/20 0.45

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
SCHEMBL7390717 0.84 PDE4A (0.53) PDE4BPDE4DPDE4APDE4C
SCHEMBL7321981 0.80 PDE4A (0.52) PDE4BPDE4DPDE4APDE4CEPHX2
SCHEMBL7387697 0.76 PDE4A (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL7389939 0.75 PDE4A (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL8688517 0.74 PDE4A (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL7389555 0.74 PDE4A (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL7911028 0.73 PDE4D (0.53) PDE4BPDE4DPDE4APDE4CEPHX2
SCHEMBL7389162 0.73 PDE4A (0.47) PDE4BPDE4DPDE4APDE4C
SCHEMBL7389100 0.73 PDE4A (0.47) PDE4BPDE4DPDE4APDE4C
SCHEMBL7334522 0.72 PDE4A (0.61) PDE4BPDE4DPDE4APDE4C

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
US-5710160-A PHOSPHODIESTERASE IV INHIBITORS FOR TREATMENT OF ASTHMA BY RAISING LEVELS OF CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE MERCK FROSST CANADA, INC. (CA) 1998-01-20 US claimed
US-5710160-A PHOSPHODIESTERASE IV INHIBITORS FOR TREATMENT OF ASTHMA BY RAISING LEVELS OF CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE MERCK FROSST CANADA, INC. (CA) 1998-01-20 US disclosed