SCHEMBL4948178

SCHEMBL4948178

NC(=O)c1cnc2c(S(=O)(=O)c3ccccc3)cccc2c1Nc1cccc2c1CCO2

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.61
SLC40A1 Q9NP59 1/20 0.39
MTNR1B P49286 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
SCHEMBL4949173 0.88 PDE4B (0.69) PDE4BMTNR1B
SCHEMBL4949711 0.84 PDE4B (0.64) PDE4BMTNR1B
SCHEMBL4628806 0.84 PDE4B (0.57) PDE4BMTNR1B
SCHEMBL1276433 0.83 PDE4B (0.81) PDE4B
SCHEMBL4626847 0.83 PDE4B (0.56) PDE4BMTNR1B
SCHEMBL4627674 0.81 PDE4B (0.56) PDE4BMTNR1B
SCHEMBL4949741 0.81 PDE4B (0.60) PDE4B
SCHEMBL8311654 0.81 PDE4B (0.66) PDE4BMTNR1B
SCHEMBL4949101 0.80 PDE4B (0.68) PDE4BMTNR1B
Hydrochloric Acid SCHEMBL2480331 0.80 PDE4B (0.65) 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