⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL305901 | 0.77 | — | — | |
| SCHEMBL1005969 | 0.77 | — | — | |
| SCHEMBL305900 | 0.77 | — | — | |
| SCHEMBL38659428 | 0.74 | BRD4 (0.38) | — | |
| SCHEMBL31048309 | 0.69 | CREBBP (0.34) | — | |
| SCHEMBL4086483 | 0.69 | — | — | |
| SCHEMBL19457696 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL110314 | 0.69 | — | — | |
| SCHEMBL666843 | 0.69 | — | — | |
| SCHEMBL8592599 | 0.69 | NOS2 (0.45) | — |
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-8623863-B2 | Disubstituted azepan orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-01-07 | — | — | US | disclosed |
| EP-2348846-B1 | DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-2348846-B1 | DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-08-28 | — | — | EP | disclosed |
| US-20110207715-A1 | Disubstituted Azepan Orexin Receptor Antagonists | MERCK SHARP & DOHME LLC | 2011-08-25 | — | — | US | disclosed |
| EP-2348846-A1 | DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010048017-A1 | DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010048017-A1 | DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-04-29 | — | — | WO | disclosed |