⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5733710 | 0.83 | — | — | |
| SCHEMBL17806029 | 0.81 | AR (0.32) | — | |
| SCHEMBL17222991 | 0.77 | SOS1 (0.38) | — | |
| SCHEMBL29915681 | 0.77 | SOS1 (0.38) | — | |
| SCHEMBL31047183 | 0.77 | TRPA1 (0.37) | — | |
| SCHEMBL31047147 | 0.77 | CYP3A4 (0.36) | — | |
| SCHEMBL12584979 | 0.77 | CYP3A4 (0.36) | — | |
| SCHEMBL5735193 | 0.74 | SOS1 (0.36) | — | |
| SCHEMBL5743361 | 0.74 | — | — | |
| SCHEMBL2329832 | 0.74 | ALDH1A1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100432056-C | Tetrahydroisoquinolinylacetamide derivatives as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD (CH) | 2008-11-12 | — | — | CN | disclosed |
| US-20060178515-A1 | Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists | ACTELION PHARMACEUTICALS, LTD. (CH) | 2006-08-10 | — | — | US | disclosed |
| CN-1764647-A | Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD (CH) | 2006-04-26 | — | — | CN | disclosed |
| EP-1611104-A1 | TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004085403-A1 | TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2004-10-07 | — | — | WO | disclosed |