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SCHEMBL3128686

SCHEMBL3128686

COc1ccc(N(Cc2cccnc2)c2ccc(N(C)CC(=O)N(C)C)nc2)cc1OC1CCCC1.COc1ccc(N(Cc2cccnc2)c2ccc(NC3CCOCC3)nc2)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 13/20 0.43
▸ PDE4D Q08499 7/20 0.43
▸ PDE4B Q07343 5/20 0.43
▸ PDE4C Q08493 5/20 0.43
▸ QPCT Q16769 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL3129592 0.91 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CGAA
SCHEMBL3128964 0.90 PDE4A (0.50) PDE4APDE4DPDE4BPDE4CQPCT
SCHEMBL7940955 0.81 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL3122519 0.81 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C
SCHEMBL3121195 0.79 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL3126047 0.78 PDE4A (0.48) PDE4APDE4DPDE4BPDE4C
SCHEMBL3131352 0.78 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL3131197 0.78 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL3122409 0.77 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL3123671 0.76 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C

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