SCHEMBL12162886

SCHEMBL12162886

COc1ccc(-c2nc(C(=O)N3CCN(C(=O)C4(C(F)(F)F)CC4)CC3)c(CN)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.79
▸ PDE11A Q9HCR9 14/20 0.75
▸ PDE10A Q9Y233 11/20 0.75

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
SCHEMBL12162837 0.92 PDE4B (0.79) PDE4BPDE11APDE10A
SCHEMBL8276383 0.92 PDE4B (0.81) PDE4BPDE11APDE10A
SCHEMBL8275108 0.89 PDE4B (0.87) PDE4BPDE11APDE10A
SCHEMBL8274575 0.89 PDE4B (1.00) PDE4BPDE11APDE10A
SCHEMBL8276457 0.89 PDE4B (1.00) PDE4BPDE11APDE10A
SCHEMBL13919383 0.88 PDE4B (0.62) PDE4BPDE11APDE10A
SCHEMBL8275122 0.88 PDE4B (0.80) PDE4BPDE11APDE10A
SCHEMBL8276363 0.87 PDE4B (0.84) PDE4BPDE11APDE10A
SCHEMBL13918541 0.87 PDE4B (0.81) PDE4BPDE11APDE10A
SCHEMBL8275130 0.87 PDE4B (0.83) 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
EP-1758883-B1 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORP (US) 2011-11-02 — — EP disclosed
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