SCHEMBL13919253

SCHEMBL13919253

CCc1cnc(C2(O)CCN(C(=O)c3nc(-c4ccc(OC)c5nc(C(F)(F)F)ccc45)oc3[C@H](C)N)CC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.61
▸ PDE11A Q9HCR9 14/20 0.61
▸ PDE10A Q9Y233 6/20 0.61

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
SCHEMBL8272960 0.91 PDE4B (0.65) PDE4BPDE11APDE10A
SCHEMBL13918971 0.89 PDE4B (0.67) PDE4BPDE11APDE10A
SCHEMBL13918964 0.89 PDE4B (0.67) PDE4BPDE11APDE10A
SCHEMBL13920359 0.86 PDE4B (0.65) PDE4BPDE11APDE10A
SCHEMBL13919192 0.86 PDE4B (0.66) PDE4BPDE11APDE10A
SCHEMBL13918939 0.86 PDE4B (0.79) PDE4BPDE11APDE10A
SCHEMBL13919183 0.86 PDE4B (0.60) PDE4BPDE11APDE10A
SCHEMBL8272966 0.86 PDE4B (0.62) PDE4BPDE11APDE10A
SCHEMBL13918934 0.86 PDE4B (0.69) PDE4BPDE11APDE10A
SCHEMBL8275331 0.85 PDE4B (0.65) PDE4BPDE11APDE10A

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-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
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