⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7240508 | 0.93 | HTR1A (0.60) | — | |
| SCHEMBL1037297 | 0.90 | — | — | |
| SCHEMBL9174181 | 0.89 | — | — | |
| SCHEMBL6589624 | 0.85 | — | — | |
| SCHEMBL9176472 | 0.84 | — | — | |
| SCHEMBL9175788 | 0.83 | — | — | |
| SCHEMBL9180759 | 0.83 | HTR1A (0.63) | — | |
| SCHEMBL9467135 | 0.83 | HTR1A (0.51) | — | |
| SCHEMBL6634851 | 0.82 | HTR1A (0.48) | — | |
| SCHEMBL9178367 | 0.82 | ALDH1A1 (0.64) | — |
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-0490772-B1 | 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them | ADIR (FR) | 1995-07-26 | — | — | EP | claimed |
| EP-0490772-A1 | 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1992-06-17 | — | — | EP | claimed |
| US-20120115778-A1 | Methods of Suppressing Appetite by the Administration of Antagonists of the Serotonin HTR1a or HTR2b Receptors or Inhibitors of TPH2 | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-05-10 | — | — | US | disclosed |
| WO-2011009012-A1 | METHODS OF SUPPRESSING APPETITE BY THE ADMINISTRATION OF ANTAGONISTS OF THE SEROTONIN HTR1a or HTR2b RECEPTORS OR INHIBITORS OF TPH2 | COLUMBIA UNIVERSITY (US) | 2011-01-20 | — | — | WO | disclosed |