SCHEMBL13761122

SCHEMBL13761122

Bc1cc(CNC(=O)c2cccc(C(=O)NCc3c(CC)nc4c(cnn4CC)c3NC3CCOCC3)c2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.50
PDE5A O76074 4/20 0.41
ROCK2 O75116 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL13761270 0.94 PDE4B (0.48) PDE4BPDE5A
SCHEMBL8023899 0.93 PDE4B (0.50) PDE4BPDE5AMAPK1
SCHEMBL13761220 0.93 PDE4B (0.51) PDE4BPDE5AROCK2
SCHEMBL1364499 0.92 PDE4B (0.50) PDE4BPDE5AROCK2
SCHEMBL13761154 0.92 PDE4B (0.48) PDE4BPDE5A
SCHEMBL13761218 0.92 PDE4B (0.48) PDE4BPDE5A
SCHEMBL8002737 0.92 PDE4B (0.48) PDE4BPDE5A
SCHEMBL13760949 0.91 PDE4B (0.52) PDE4BMAPK1
SCHEMBL13760956 0.91 PDE4B (0.51) PDE4BPDE5AMAPK1
SCHEMBL13760978 0.91 PDE4B (0.51) PDE4BMAPK1

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-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed