⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4041771 | 1.00 | — | — | |
| SCHEMBL4042031 | 0.76 | HTR2A (0.32) | — | |
| SCHEMBL4042025 | 0.76 | HTR2A (0.32) | — | |
| SCHEMBL4049664 | 0.76 | HTR2C (0.38) | — | |
| SCHEMBL4049671 | 0.76 | HTR2C (0.38) | — | |
| SCHEMBL4037624 | 0.75 | HTR2A (0.36) | — | |
| Hydrochloric Acid SCHEMBL4043022 | 0.75 | HTR2C (0.37) | — | |
| SCHEMBL4037621 | 0.75 | HTR2A (0.36) | — | |
| Hydrochloric Acid SCHEMBL4043013 | 0.75 | HTR2C (0.37) | — | |
| SCHEMBL4042223 | 0.74 | HTR2A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1370561-B1 | TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS | HOFFMANN LA ROCHE (CH) | 2009-02-11 | — | — | EP | claimed |
| EP-1370561-B1 | TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS | HOFFMANN LA ROCHE (CH) | 2009-02-11 | — | — | EP | disclosed |
| US-6844345-B2 | Piperazine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2005-01-18 | — | — | US | disclosed |
| US-20020169163-A1 | Piperazine derivatives | HOFFMAN-LA ROCHE INC. | 2002-11-14 | — | — | US | disclosed |