SCHEMBL8268461

SCHEMBL8268461

O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c2oc3ccc(S(=O)(=O)N4CCC(O)CC4)cc3c12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.65
PDE4B Q07343 18/20 0.47
PDE4A P27815 12/20 0.44
PDE4C Q08493 11/20 0.44
ABCB11 O95342 1/20 0.42

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
SCHEMBL8268467 0.93 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL8267963 0.91 PDE4D (0.67) PDE4DPDE4BPDE4APDE4C
SCHEMBL4026556 0.80 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CABCB11
Oglemilast SCHEMBL4030005 0.80 PDE4D (0.98) PDE4DPDE4BPDE4APDE4CABCB11
Oglemilast SCHEMBL4030019 0.80 PDE4D (0.98) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4026259 0.80 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CABCB11
Oglemilast SCHEMBL29413215 0.79 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CABCB11
Oglemilast SCHEMBL29369504 0.79 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CABCB11
Oglemilast SCHEMBL220245 0.79 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4755347 0.79 PDE4D (0.69) 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
WO-2006051390-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM GLENMARK PHARMACEUTICALS S.A. (US) 2006-05-18 WO disclosed