SCHEMBL13920540

SCHEMBL13920540

COc1ccc(-c2nc(C(C)N)c(C(=O)N3CCC4(CC3)C(=O)NCN4c3ccccc3)s2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 16/20 0.66
▸ PDE11A Q9HCR9 10/20 0.66
▸ PDE10A Q9Y233 9/20 0.66
▸ PDE3A Q14432 1/20 0.39
▸ PLD1 Q13393 3/20 0.38
▸ PLD2 O14939 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OPRL1 P41146 1/20 0.38

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
SCHEMBL13920539 0.85 PDE4B (0.62) PDE4BPDE11APDE10A
SCHEMBL13918938 0.84 PDE4B (0.81) PDE4BPDE11APDE10A
SCHEMBL8274209 0.82 PDE4B (0.47) PDE4BPDE11APDE10A
SCHEMBL13918517 0.80 PDE4B (1.00) PDE4BPDE11APDE10A
SCHEMBL8274207 0.77 PDE4B (0.56) PDE4BPDE11APDE10A
SCHEMBL13920535 0.76 PDE4B (0.49) PDE4BPDE11APDE10A
SCHEMBL13920541 0.76 PDE4B (0.54) PDE4BPDE11APDE10APDE3A
SCHEMBL8274204 0.73 PDE4B (0.47) PDE4BPDE11APDE10APDE3A
SCHEMBL13920533 0.70 PDE4B (0.72) PDE4BPDE11APDE10A
SCHEMBL13920547 0.69 PDE4B (0.73) 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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