⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8248970 | 1.00 | — | — | |
| SCHEMBL8246284 | 0.81 | — | — | |
| SCHEMBL8239142 | 0.80 | — | — | |
| SCHEMBL8248881 | 0.79 | ALOX5 (0.32) | — | |
| SCHEMBL8426360 | 0.73 | CCR5 (0.32) | — | |
| SCHEMBL8427548 | 0.73 | CCR5 (0.32) | — | |
| SCHEMBL5211834 | 0.69 | — | — | |
| SCHEMBL8248971 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL8239197 | 0.65 | — | — | |
| SCHEMBL8246270 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7875629-B2 | minimal side effects, improved selectivity, potency, pharmacokinetics, and/or duration of action; 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[3-(4-methanesulfonylpiperazine-1-sulfonyl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; reduced motility of the gastrointestinal tract | THERAVANCE, INC. (US) | 2011-01-25 | — | — | US | disclosed |
| US-20090036483-A1 | QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-02-05 | — | — | US | disclosed |
| US-7446114-B2 | Quinolinone compounds as 5-HT4 receptor agonists | THERAVANCE, INC. (US) | 2008-11-04 | — | — | US | disclosed |
| US-20060199839-A1 | Quinolinone compounds as 5-HT4 receptor agonists | THERAVANCE, INC. | 2006-09-07 | — | — | US | disclosed |