⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8307272 | 0.82 | DRD2 (0.37) | — | |
| SCHEMBL8306513 | 0.82 | DRD2 (0.37) | — | |
| SCHEMBL9179406 | 0.81 | HTR1A (0.67) | — | |
| SCHEMBL9038014 | 0.75 | HTR2C (0.41) | — | |
| SCHEMBL9174181 | 0.73 | — | — | |
| SCHEMBL9178367 | 0.72 | ALDH1A1 (0.64) | — | |
| SCHEMBL9182190 | 0.71 | HTR1A (0.60) | — | |
| SCHEMBL13499602 | 0.71 | ADRB1 (0.67) | — | |
| SCHEMBL31051847 | 0.71 | ADRB1 (0.67) | — | |
| SCHEMBL6194727 | 0.71 | ALDH1A1 (0.53) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0574313-B1 | 1,4-Disubstituted piperazines for the treatment of disorders of the central nervous system and neuro-endocrine disorders | ADIR (FR) | 1999-10-06 | — | — | EP | disclosed |
| EP-0574313-A1 | 1,4-Disubstituted piperazines for the treatment of disorders of the central nervous system and neuro-endocrine disorders | ADIR ET COMPAGNIE (FR) | 1993-12-15 | — | — | EP | disclosed |