SCHEMBL4944550

SCHEMBL4944550

COc1cccc(Nc2c(C(N)=O)cnc3c(SCCNC(C)=O)cccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.59
PDE4A P27815 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
SYK P43405 1/20 0.47

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
SCHEMBL4949743 0.84 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL1275370 0.84 PDE4B (0.70) PDE4BMTNR1AMTNR1BTP53MAPT
SCHEMBL4948631 0.82 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL2635973 0.79 PDE4B (0.73) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL4949011 0.79 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL4948607 0.78 PDE4B (0.68) PDE4BPDE4APDE4CPDE4D
SCHEMBL1276202 0.77 PDE4B (0.72) PDE4BPDE4APDE4CPDE4D
SCHEMBL4951341 0.77 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL4627512 0.76 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL1275356 0.75 PDE4B (0.75) PDE4B

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
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP claimed