SCHEMBL7999898

SCHEMBL7999898

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)NCc1cccc(-c2cccc(CC3CCN(C)CC3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.49
MAPK1 P28482 1/20 0.42
PDE7A Q13946 1/20 0.35
NMT1 P30419 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL3424657 0.95 PDE4B (0.48) PDE4BMAPK1NMT1
SCHEMBL3425812 0.95 PDE4B (0.48) PDE4BMAPK1NMT1
SCHEMBL13750936 0.95 PDE4B (0.47) PDE4BMAPK1PDE7ANMT1TRPV1
SCHEMBL8011054 0.94 PDE4B (0.45) PDE4BMAPK1TRPV1
SCHEMBL4098533 0.94 PDE4B (0.50) PDE4BMAPK1NMT1
SCHEMBL1364644 0.94 PDE4B (0.50) PDE4BMAPK1
SCHEMBL8008701 0.93 PDE4B (0.44) PDE4BMAPK1
SCHEMBL8014793 0.93 PDE4B (0.44) PDE4BMAPK1
SCHEMBL8012215 0.92 PDE4B (0.43) PDE4BMAPK1
SCHEMBL3429059 0.92 PDE4B (0.49) PDE4BMAPK1PDE7A

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-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed