SCHEMBL13920013

SCHEMBL13920013

COc1ccc(-c2nc(C(=O)N[C@H]3C[C@@H](NC(=O)C4CC4)C3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.63
PDE11A Q9HCR9 11/20 0.63
PDE10A Q9Y233 1/20 0.52

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
SCHEMBL13919980 1.00 PDE4B (0.63) PDE4BPDE11APDE10A
SCHEMBL13920066 0.95 PDE4B (0.63) PDE4BPDE11APDE10A
SCHEMBL13920063 0.94 PDE4B (0.61) PDE4BPDE11A
SCHEMBL13920065 0.94 PDE4B (0.61) PDE4BPDE11A
SCHEMBL13920064 0.92 PDE4B (0.64) PDE4BPDE11A
SCHEMBL13919713 0.92 PDE4B (0.69) PDE4BPDE11APDE10A
SCHEMBL13920017 0.91 PDE4B (0.66) PDE4BPDE11APDE10A
SCHEMBL13920025 0.91 PDE4B (0.66) PDE4BPDE11APDE10A
SCHEMBL13919974 0.91 PDE4B (0.66) PDE4BPDE11APDE10A
SCHEMBL13920068 0.90 PDE4B (0.62) 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