⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1037294 | 1.00 | — | — | |
| SCHEMBL9467335 | 0.94 | DRD2 (0.45) | — | |
| SCHEMBL9176453 | 0.94 | DRD2 (0.45) | — | |
| SCHEMBL9177231 | 0.93 | DRD4 (0.46) | — | |
| SCHEMBL9180749 | 0.93 | DRD4 (0.46) | — | |
| SCHEMBL1038532 | 0.92 | HTR2C (0.44) | — | |
| SCHEMBL9175625 | 0.92 | HTR2C (0.44) | — | |
| SCHEMBL9466299 | 0.90 | SIGMAR1 (0.47) | — | |
| SCHEMBL9175522 | 0.90 | SIGMAR1 (0.47) | — | |
| SCHEMBL9182178 | 0.89 | HTR2C (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0490772-B1 | 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them | ADIR (FR) | 1995-07-26 | — | — | EP | claimed |
| US-5194437-A | Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders | ADIR ET COMPAGNIE (FR) | 1993-03-16 | — | — | US | claimed |
| JP-6025217-A | — | — | None | — | — | JP | disclosed |
| JP-H0625217-A | NEW 1,4-DISUBSTITUTED PIPERAZINE | ADIR | 1994-02-01 | — | — | JP | disclosed |
| US-5194437-A | Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders | ADIR ET COMPAGNIE (FR) | 1993-03-16 | — | — | US | disclosed |