⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6980533 | 0.97 | — | — | |
| SCHEMBL12476176 | 0.97 | — | — | |
| SCHEMBL12476566 | 0.97 | — | — | |
| SCHEMBL9975308 | 0.77 | RAB9A (0.42) | — | |
| SCHEMBL9975293 | 0.75 | — | — | |
| SCHEMBL14802925 | 0.71 | MEN1 (0.41) | — | |
| SCHEMBL14799413 | 0.71 | MEN1 (0.41) | — | |
| SCHEMBL22485142 | 0.71 | CHRNA7 (0.33) | — | |
| SCHEMBL22882610 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL6151148 | 0.69 | KDM4E (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030212101-A1 | Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists | SMITHKLINE BEECHAM S.P.A. (IT) | 2003-11-13 | — | — | US | claimed |
| EP-1131295-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | Smithkline Beecham S.p.A. (IT) | 2001-09-12 | — | — | EP | claimed |
| WO-2000031037-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM S.P.A. (IT) | 2000-06-02 | — | — | WO | claimed |
| US-6780875-B2 | RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM S.P.A. (IT) | 2004-08-24 | — | — | US | disclosed |
| US-20030212101-A1 | Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists | SMITHKLINE BEECHAM S.P.A. (IT) | 2003-11-13 | — | — | US | disclosed |
| EP-1131295-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | Smithkline Beecham S.p.A. (IT) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000031037-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM S.P.A. (IT) | 2000-06-02 | — | — | WO | disclosed |