⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2545146 | 0.94 | HTR3E (0.56) | — | |
| Hydrochloric Acid SCHEMBL10523385 | 0.92 | KDM4E (0.57) | — | |
| SCHEMBL30992343 | 0.84 | HTR1A (0.53) | — | |
| SCHEMBL13239012 | 0.84 | HTR1A (0.53) | — | |
| Hydrochloric Acid SCHEMBL6300254 | 0.79 | HTR1A (0.44) | — | |
| SCHEMBL10514753 | 0.76 | — | — | |
| SCHEMBL4243072 | 0.75 | HTR2C (0.58) | — | |
| SCHEMBL4243080 | 0.75 | HTR2C (0.58) | — | |
| SCHEMBL7719591 | 0.75 | HTR6 (0.87) | — | |
| SCHEMBL10512972 | 0.73 | HTR1A (0.52) | — |
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-0889889-B1 | PIPERAZINE AND PIPERIDINE COMPOUNDS | DUPHAR INT RES (NL) | 2006-09-20 | — | — | EP | disclosed |
| US-6225312-B1 | TREATING A CNS DISORDER SUCH AS SCHIZOPHRENIA | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 2001-05-01 | — | — | US | disclosed |
| EP-0889889-A1 | PIPERAZINE AND PIPERIDINE COMPOUNDS | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1999-01-13 | — | — | EP | disclosed |
| WO-1997036893-A1 | PIPERAZINE AND PIPERIDINE COMPOUNDS | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1997-10-09 | — | — | WO | disclosed |