⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL271911 | 0.84 | MEN1 (0.30) | — | |
| SCHEMBL272205 | 0.77 | — | — | |
| SCHEMBL9183837 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL457787 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL2640725 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL10928403 | 0.76 | — | — | |
| SCHEMBL20237148 | 0.76 | — | — | |
| SCHEMBL30001033 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL13862851 | 0.76 | KDM4C (0.31) | — | |
| SCHEMBL5726454 | 0.76 | — | — |
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-7476679-B2 | Octahydroisoquinoline compounds as opioid receptor modulators | RESEARCH TRIANGLE INSTITUTE (US) | 2009-01-13 | — | — | US | disclosed |
| EP-1906962-A2 | OCTAHYDROISOQUINOLINE COMPOUNDS AS OPIOID RECEPTOR MODULATORS | RESEARCH TRIANGLE INSTITUTE (US) | 2008-04-09 | — | — | EP | disclosed |
| US-20070027182-A1 | Octahydroisoquinoline compounds as opioid receptor modulators | RESEARCH TRIANGLE INSTITUTE (US) | 2007-02-01 | — | — | US | disclosed |
| WO-2007014263-A2 | OCTAHYDROISOQUINOLINE COMPOUNDS AS OPIOID RECEPTOR MODULATORS | RESEARCH TRIANGLE INSTITUTE (US) | 2007-02-01 | — | — | WO | disclosed |