SCHEMBL8233465

SCHEMBL8233465

COc1ccc(-c2nc(C(=O)N3CC[C@@H](NC(=O)C4CC4)C3)c(CN)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.82
▸ PDE11A Q9HCR9 14/20 0.82
▸ PDE10A Q9Y233 11/20 0.82

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
SCHEMBL13918587 0.93 PDE4B (0.84) PDE4BPDE11APDE10A
SCHEMBL13918677 0.92 PDE4B (0.83) PDE4BPDE11APDE10A
SCHEMBL8275107 0.90 PDE4B (1.00) PDE4BPDE11APDE10A
SCHEMBL13918678 0.90 PDE4B (0.82) PDE4BPDE11APDE10A
SCHEMBL13918685 0.90 PDE4B (0.85) PDE4BPDE11APDE10A
SCHEMBL13918683 0.89 PDE4B (0.90) PDE4BPDE11APDE10A
SCHEMBL13918765 0.89 PDE4B (0.77) PDE4BPDE11APDE10A
SCHEMBL8274572 0.88 PDE4B (0.81) PDE4BPDE11APDE10A
SCHEMBL8275114 0.87 PDE4B (0.79) PDE4BPDE11APDE10A
SCHEMBL13918539 0.87 PDE4B (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008327-A2 XINAFOATE SALT OF A SUBSTITUTED 5-OXAZOL-2-YL-QUINOLINE COMPOUND SCHERING CORPORATION (US) 2008-01-17 — — WO disclosed
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