SCHEMBL15016088

SCHEMBL15016088

O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c2oc3ccnnc3c12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.60
PDE4B Q07343 17/20 0.52
PDE4A P27815 16/20 0.51
PDE4C Q08493 15/20 0.48
ABCB11 O95342 1/20 0.42
PDE11A Q9HCR9 1/20 0.40

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
SCHEMBL15016079 0.88 PDE4B (0.62) PDE4DPDE4BPDE4APDE4CPDE11A
SCHEMBL72937 0.85 PDE4D (0.69) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL75216 0.84 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL75217 0.84 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL73200 0.84 PDE4D (0.67) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL73641 0.83 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL5017912 0.82 PDE4B (0.71) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4026556 0.79 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4030622 0.79 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4029693 0.78 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CABCB11

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-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed