SCHEMBL8432990

SCHEMBL8432990

COc1ccc([C@@]2(C#Cc3ccncc3)CCC[C@H](CN)C2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 20/20 0.49
▸ PDE4B Q07343 20/20 0.49
▸ PDE4C Q08493 20/20 0.49
▸ PDE4D Q08499 20/20 0.49

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
SCHEMBL8432738 1.00 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7445549 1.00 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL8431373 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7403440 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL8431376 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL8357451 0.91 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL8357454 0.91 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7419473 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL8330022 0.84 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL8330028 0.84 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D

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
US-5900417-A 1,3,3-(Trisubstituted)cyclohexanemonomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-05-04 — — US disclosed
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