SCHEMBL6887744

SCHEMBL6887744

Nc1ccc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.77
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL6887748 1.00 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL7907997 0.85 PDE4A (0.74) PDE4A
SCHEMBL7379831 0.85 PDE4A (0.58) PDE4A
SCHEMBL7908346 0.81 PDE4A (0.67) PDE4A
SCHEMBL6888609 0.76 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL7397686 0.76 PDE4A (0.61) PDE4A
SCHEMBL7400925 0.75 PDE4A (0.59) PDE4A
SCHEMBL6890082 0.75 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
SCHEMBL7265252 0.75 PDE4A (0.88) PDE4APDE4BPDE4CPDE4D
SCHEMBL6890078 0.75 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944599-B1 TRIARYLETHANES USEFUL AS PDE IV INHIBITORS CELLTECH R&D LTD (GB) 2004-08-18 EP disclosed
EP-0944599-A1 TRIARYLETHANES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-29 EP disclosed
WO-1998028276-A1 TRIARYLETHANES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-07-02 WO disclosed