SCHEMBL13919447

SCHEMBL13919447

CCOC(=O)[C@@H]1C[C@H](NC(=O)C2CC2)CN1C(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1[C@H](C)N

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.53
PDE11A Q9HCR9 11/20 0.53
PDE10A Q9Y233 1/20 0.48

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
SCHEMBL12396146 1.00 PDE4B (0.53) PDE4BPDE11APDE10A
SCHEMBL12923213 0.95 PDE4B (0.48) PDE4BPDE11APDE10A
SCHEMBL12464378 0.94 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL8092859 0.94 PDE4B (0.48) PDE4BPDE11APDE10A
SCHEMBL13919567 0.93 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL152335 0.92 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL16393762 0.92 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL16393759 0.92 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL152336 0.92 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL12705538 0.92 PDE4B (0.45) 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