⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6984560 | 1.00 | — | — | |
| SCHEMBL5233212 | 0.78 | — | — | |
| SCHEMBL7030284 | 0.78 | — | — | |
| SCHEMBL2931918 | 0.78 | — | — | |
| SCHEMBL28406277 | 0.78 | — | — | |
| SCHEMBL20261924 | 0.78 | — | — | |
| SCHEMBL28356198 | 0.78 | — | — | |
| SCHEMBL1897726 | 0.76 | SLC22A6 (0.39) | — | |
| SCHEMBL7980233 | 0.76 | — | — | |
| SCHEMBL6398747 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900792-B1 | Piperazine and piperidine derivatives as 5-HT1A and dopamine D2-receptor (ant)agonists | DUPHAR INT RES (NL) | 2003-10-29 | — | — | EP | disclosed |
| US-6214829-B1 | NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 2001-04-10 | — | — | US | disclosed |
| EP-0900792-A1 | Piperazine and piperidine derivatives as 5-HT1 receptor agonists | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1999-03-10 | — | — | EP | disclosed |