SCHEMBL8023899

SCHEMBL8023899

Bc1cc(CNC(=O)c2cccc(C(=O)NCc3c(CC)nc4c(cnn4CC)c3NC3CCOCC3)n2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.50
PDE5A O76074 5/20 0.41
MAPK1 P28482 1/20 0.37
RPS6KA1 Q15418 1/20 0.37

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
SCHEMBL13761122 0.93 PDE4B (0.50) PDE4BPDE5AMAPK1
SCHEMBL8017640 0.93 PDE4B (0.51) PDE4BPDE5A
SCHEMBL3428877 0.92 PDE4B (0.50) PDE4BPDE5A
SCHEMBL8002737 0.92 PDE4B (0.48) PDE4BPDE5A
SCHEMBL13761218 0.92 PDE4B (0.48) PDE4BPDE5A
SCHEMBL13761154 0.92 PDE4B (0.48) PDE4BPDE5A
SCHEMBL8006553 0.91 PDE4B (0.52) PDE4BMAPK1RPS6KA1
SCHEMBL8016371 0.91 PDE4B (0.51) PDE4BMAPK1RPS6KA1
SCHEMBL8017772 0.90 PDE4B (0.48) PDE4BPDE5A
SCHEMBL13761270 0.90 PDE4B (0.48) PDE4BPDE5A

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-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed