SCHEMBL8084612

SCHEMBL8084612

CCOC(=O)[C@@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1CN

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.60
PDE11A Q9HCR9 14/20 0.60
PDE10A Q9Y233 10/20 0.60

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
SCHEMBL13918771 0.91 PDE4B (0.62) PDE4BPDE11APDE10A
SCHEMBL13919447 0.91 PDE4B (0.53) PDE4BPDE11APDE10A
SCHEMBL12396146 0.91 PDE4B (0.53) PDE4BPDE11APDE10A
SCHEMBL12923213 0.90 PDE4B (0.48) PDE4BPDE11APDE10A
SCHEMBL8230144 0.90 PDE4B (0.57) PDE4BPDE11APDE10A
SCHEMBL8092859 0.90 PDE4B (0.48) PDE4BPDE11APDE10A
SCHEMBL691228 0.88 PDE4B (0.58) PDE4BPDE11APDE10A
SCHEMBL12705538 0.87 PDE4B (0.45) PDE4BPDE11APDE10A
SCHEMBL12396223 0.86 PDE4B (0.52) PDE4BPDE11APDE10A
SCHEMBL8275037 0.84 PDE4B (0.70) 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
WO-2009009002-A2 HYDROGEN CHLORIDE SALT OF A SUBSTITUTED 5-OXAZOL-2-YL-QUINOLINE COMPOUND AND A PROCESS FOR THE PRODUCTION THEREOF SCHERING CORPORATION (US) 2009-01-15 WO disclosed
WO-2008008327-A2 XINAFOATE SALT OF A SUBSTITUTED 5-OXAZOL-2-YL-QUINOLINE COMPOUND SCHERING CORPORATION (US) 2008-01-17 WO disclosed