SCHEMBL8274104

SCHEMBL8274104

COc1ccc(-c2nc(C(=O)NCCC(=O)N3CCCC3)c(CN)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.76
▸ PDE11A Q9HCR9 13/20 0.68
▸ PDE10A Q9Y233 3/20 0.66
▸ PDE4D Q08499 1/20 0.64

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
SCHEMBL12162854 0.99 PDE4B (0.76) PDE4BPDE11APDE10APDE4D
SCHEMBL13919587 0.89 PDE4B (0.69) PDE4BPDE11A
SCHEMBL13919571 0.89 PDE4B (0.69) PDE4BPDE11A
SCHEMBL12162816 0.88 PDE4B (0.78) PDE4BPDE11APDE10APDE4D
SCHEMBL13919592 0.87 PDE4B (0.69) PDE4BPDE11A
SCHEMBL12162850 0.87 PDE4B (0.75) PDE4BPDE11APDE10APDE4D
SCHEMBL12162887 0.86 PDE4B (0.80) PDE4BPDE11APDE10APDE4D
SCHEMBL8274575 0.86 PDE4B (1.00) PDE4BPDE11APDE10A
SCHEMBL12162675 0.85 PDE4B (0.80) PDE4BPDE11APDE10APDE4D
SCHEMBL8276457 0.85 PDE4B (1.00) 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-2005116009-A1 SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS SCHERING CORPORATION (US) 2005-12-08 — — WO disclosed
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