SCHEMBL8015116

SCHEMBL8015116

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(C)c(C)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.54
NR3C1 P04150 1/20 0.38
PDE4D Q08499 2/20 0.38
MAPK1 P28482 1/20 0.38
RPS6KA1 Q15418 1/20 0.38

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
SCHEMBL3431416 0.94 PDE4B (0.52) PDE4BNR3C1PDE4DMAPK1RPS6KA1
SCHEMBL8016479 0.94 PDE4B (0.52) PDE4BNR3C1MAPK1RPS6KA1
SCHEMBL8006553 0.94 PDE4B (0.52) PDE4BNR3C1PDE4DMAPK1RPS6KA1
SCHEMBL8017640 0.93 PDE4B (0.51) PDE4B
SCHEMBL8025048 0.90 PDE4B (0.56) PDE4BNR3C1MAPK1RPS6KA1
SCHEMBL3428989 0.90 PDE4B (0.56) PDE4BNR3C1MAPK1RPS6KA1
SCHEMBL13761197 0.89 PDE4B (0.50) PDE4B
SCHEMBL3431507 0.89 PDE4B (0.51) PDE4BNR3C1PDE4DMAPK1RPS6KA1
SCHEMBL8016371 0.89 PDE4B (0.51) PDE4BPDE4DMAPK1RPS6KA1
SCHEMBL3430830 0.89 PDE4B (0.51) PDE4BNR3C1MAPK1RPS6KA1

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