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SCHEMBL3126147

SCHEMBL3126147

COc1ccc(N(Cc2cscn2)c2cccc(C(=O)OC(=O)c3ccc(N(Cc4cncs4)c4ccc(OC)c(OC5CCCC5)c4)cc3)c2)cc1OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 14/20 0.39
▸ PDE4A P27815 11/20 0.39
▸ PDE4C Q08493 11/20 0.39
▸ PDE4D Q08499 11/20 0.39
▸ PDE5A O76074 3/20 0.36
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35

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
SCHEMBL3126139 0.93 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3126226 0.84 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3129501 0.84 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3118118 0.84 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3202579 0.84 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3215150 0.82 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3117980 0.82 PDE4D (0.53) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3249453 0.81 PDE4B (0.34) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3252594 0.78 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3253992 0.76 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DPDE5A

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 — — WO disclosed