SCHEMBL13919558

SCHEMBL13919558

COc1ccc(-c2nc(C(=O)N3CCC(C(=O)Nc4nccs4)CC3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.55
▸ PDE11A Q9HCR9 14/20 0.54
▸ PDE10A Q9Y233 5/20 0.54

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
SCHEMBL13920041 0.92 PDE4B (0.56) PDE4BPDE11APDE10A
SCHEMBL12162765 0.90 PDE4B (0.69) PDE4BPDE11APDE10A
SCHEMBL13919219 0.87 PDE4B (0.59) PDE4BPDE11APDE10A
SCHEMBL13919174 0.86 PDE4B (0.55) PDE4BPDE11APDE10A
SCHEMBL13919283 0.85 PDE4B (0.60) PDE4BPDE11APDE10A
SCHEMBL13919210 0.85 PDE4B (0.62) PDE4BPDE11APDE10A
SCHEMBL13919341 0.85 PDE4B (0.60) PDE4BPDE11APDE10A
SCHEMBL13919137 0.84 PDE4B (0.63) PDE4BPDE11APDE10A
SCHEMBL13919254 0.84 PDE4B (0.61) PDE4BPDE11APDE10A
SCHEMBL8274585 0.83 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
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
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