SCHEMBL13918541

SCHEMBL13918541

COc1ccc(-c2nc(C(=O)N3CCC(F)(C(=O)O)CC3)c(CN)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.81
▸ PDE11A Q9HCR9 14/20 0.80
▸ PDE10A Q9Y233 11/20 0.80

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
SCHEMBL13918520 0.92 PDE4B (0.77) PDE4BPDE11APDE10A
SCHEMBL13918527 0.89 PDE4B (0.85) PDE4BPDE11APDE10A
SCHEMBL8276457 0.89 PDE4B (1.00) PDE4BPDE11APDE10A
SCHEMBL8274575 0.89 PDE4B (1.00) PDE4BPDE11APDE10A
SCHEMBL8274554 0.89 PDE4B (1.00) PDE4BPDE11APDE10A
SCHEMBL8275108 0.88 PDE4B (0.87) PDE4BPDE11APDE10A
SCHEMBL8276383 0.88 PDE4B (0.81) PDE4BPDE11APDE10A
SCHEMBL13918581 0.87 PDE4B (0.83) PDE4BPDE11APDE10A
SCHEMBL13918603 0.87 PDE4B (0.81) PDE4BPDE11APDE10A
SCHEMBL13918538 0.87 PDE4B (0.84) 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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