SCHEMBL8272908

SCHEMBL8272908

C=C(c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1C(C)N)N1CCN(c2ncc(CC)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.57
▸ PDE11A Q9HCR9 14/20 0.57
▸ PDE10A Q9Y233 4/20 0.57

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
SCHEMBL13918971 0.92 PDE4B (0.67) PDE4BPDE11APDE10A
SCHEMBL13918964 0.92 PDE4B (0.67) PDE4BPDE11APDE10A
SCHEMBL13919295 0.83 PDE4B (0.67) PDE4BPDE11APDE10A
SCHEMBL13918981 0.82 PDE4B (0.78) PDE4BPDE11APDE10A
SCHEMBL8272919 0.82 PDE4B (0.78) PDE4BPDE11APDE10A
SCHEMBL8272909 0.81 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL13919348 0.81 PDE4B (0.63) PDE4BPDE11APDE10A
SCHEMBL13919253 0.80 PDE4B (0.61) PDE4BPDE11APDE10A
SCHEMBL12162700 0.79 PDE4B (0.49) PDE4BPDE11APDE10A
SCHEMBL8276370 0.79 PDE4B (0.59) 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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