SCHEMBL4948751

SCHEMBL4948751

CS(=O)(=O)c1ccc2nc(Cl)c(C(N)=O)c(Nc3cccc4c3CCO4)c2c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.70
MTNR1B P49286 1/20 0.39
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
MAPT P10636 1/20 0.36
P2RX7 Q99572 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
TOP2B Q02880 1/20 0.34
EPHB4 P54760 1/20 0.34

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
SCHEMBL1275581 0.82 PDE4B (1.00) PDE4B
SCHEMBL5069811 0.76 PDE4B (0.53) PDE4BMTNR1BMAPTP2RX7
SCHEMBL2478763 0.75 PDE4B (0.74) PDE4B
SCHEMBL1275589 0.74 PDE4B (0.75) PDE4B
SCHEMBL1276433 0.74 PDE4B (0.81) PDE4B
Hydrochloric Acid SCHEMBL2481486 0.73 PDE4B (0.74) PDE4B
SCHEMBL4627075 0.73 PDE4B (0.82) PDE4B
SCHEMBL4627565 0.72 PDE4B (0.79) PDE4B
SCHEMBL1275366 0.72 PDE4B (0.74) PDE4B
SCHEMBL2484127 0.71 PDE4B (0.73) PDE4BMTNR1B

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