SCHEMBL13919378

SCHEMBL13919378

COc1ccc(-c2nc(C(=O)N[C@@H](C)CNC(=O)C3CC3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.67
▸ PDE11A Q9HCR9 11/20 0.65
▸ PDE10A Q9Y233 1/20 0.53

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
SCHEMBL13919369 1.00 PDE4B (0.67) PDE4BPDE11APDE10A
SCHEMBL8275080 0.94 PDE4B (0.68) PDE4BPDE11A
SCHEMBL13919373 0.90 PDE4B (0.70) PDE4BPDE11APDE10A
SCHEMBL13919380 0.90 PDE4B (0.70) PDE4BPDE11APDE10A
SCHEMBL13919417 0.89 PDE4B (0.69) PDE4BPDE11APDE10A
SCHEMBL8276428 0.89 PDE4B (0.66) PDE4BPDE11A
SCHEMBL13919616 0.88 PDE4B (0.68) PDE4BPDE11APDE10A
SCHEMBL13919617 0.88 PDE4B (0.67) PDE4BPDE11APDE10A
SCHEMBL13919330 0.88 PDE4B (0.81) PDE4BPDE11APDE10A
SCHEMBL13919359 0.88 PDE4B (0.68) PDE4BPDE11A

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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