⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9747541 | 0.84 | — | — | |
| SCHEMBL9749681 | 0.80 | — | — | |
| SCHEMBL11911424 | 0.74 | — | — | |
| SCHEMBL844924 | 0.73 | — | — | |
| SCHEMBL7760246 | 0.72 | — | — | |
| SCHEMBL25584429 | 0.71 | — | — | |
| SCHEMBL18639365 | 0.70 | ADRB2 (0.38) | — | |
| SCHEMBL18583366 | 0.69 | GRM4 (0.30) | — | |
| SCHEMBL5432516 | 0.69 | CHRM2 (0.35) | — | |
| SCHEMBL18636634 | 0.69 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0259092-B1 | SUBSTITUTED HEXAHYDROARYLQUINOLIZINES | MERCK & CO. INC. (US) | 1992-07-22 | — | — | EP | disclosed |
| US-4916223-A | ALPAH 2-ADRENOCEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1990-04-10 | — | — | US | disclosed |
| US-4831035-A | Substituted hexahydroarylquinolizines | MERCK & CO., INC. (US) | 1989-05-16 | — | — | US | disclosed |
| US-4824849-A | α2 -adrenoceptor antagonistic arylquinolizines | MERCK & CO., INC. (US) | 1989-04-25 | — | — | US | disclosed |
| EP-0259092-A1 | Substituted hexahydroarylquinolizines | MERCK & CO. INC. (US) | 1988-03-09 | — | — | EP | disclosed |
| US-4710504-A | Anti-depressant spiro hexahydro arylquinolizine derivatives, composition, and method of use therefor | MERCK & CO., INC. (US) | 1987-12-01 | — | — | US | disclosed |
| EP-0204254-A2 | Substituted hexahydro arylquinolizines, processes for their preparation and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1986-12-10 | — | — | EP | disclosed |