SCHEMBL8276418

SCHEMBL8276418

CC[C@@H](C)NC(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1[C@H](C)N

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.75
▸ PDE11A Q9HCR9 11/20 0.71
▸ PDE10A Q9Y233 1/20 0.59

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
SCHEMBL13919788 1.00 PDE4B (0.75) PDE4BPDE11APDE10A
SCHEMBL13919330 0.94 PDE4B (0.81) PDE4BPDE11APDE10A
SCHEMBL13919896 0.93 PDE4B (0.74) PDE4BPDE11APDE10A
SCHEMBL13919367 0.93 PDE4B (0.74) PDE4BPDE11APDE10A
SCHEMBL13919711 0.92 PDE4B (0.78) PDE4BPDE11APDE10A
SCHEMBL13919539 0.90 PDE4B (0.71) PDE4BPDE11APDE10A
SCHEMBL13919540 0.90 PDE4B (0.71) PDE4BPDE11APDE10A
SCHEMBL13919861 0.90 PDE4B (0.73) PDE4BPDE11APDE10A
SCHEMBL13919616 0.90 PDE4B (0.68) PDE4BPDE11APDE10A
SCHEMBL8272918 0.90 PDE4B (0.78) 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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