SCHEMBL1421328

SCHEMBL1421328

CC(C)(C)N(C(=O)O)C1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(O)c(C=O)c3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.52
PDE4A P27815 1/20 0.49
PDE4D Q08499 1/20 0.49
CYP3A4 P08684 1/20 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
SCHEMBL3202497 0.88 PDE4B (0.56) PDE4BPDE4APDE4D
SCHEMBL3202486 0.88 PDE4B (0.56) PDE4BPDE4APDE4D
SCHEMBL3216966 0.82 PDE4B (0.55) PDE4BPDE4APDE4D
SCHEMBL3216960 0.82 PDE4B (0.55) PDE4BPDE4APDE4D
SCHEMBL3202025 0.81 PDE4B (0.73) PDE4BPDE4APDE4D
SCHEMBL3202020 0.81 PDE4B (0.73) PDE4BPDE4APDE4D
SCHEMBL3202928 0.81 PDE4B (0.71) PDE4BPDE4APDE4DCYP3A4
SCHEMBL3202935 0.81 PDE4B (0.71) PDE4BPDE4APDE4DCYP3A4
SCHEMBL3206993 0.78 PDE4B (0.59) PDE4BPDE4APDE4DCYP3A4
SCHEMBL3206987 0.78 PDE4B (0.59) PDE4BPDE4APDE4DCYP3A4

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
EP-2297106-A1 PHENOXYPYRIDINYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PDE4 MEDIATED DISEASE STATES AstraZeneca AB (SE) 2011-03-23 EP disclosed