⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2921748 | 0.87 | TMEM97 (0.34) | — | |
| SCHEMBL2920566 | 0.86 | REN (0.33) | — | |
| SCHEMBL2914580 | 0.86 | CACNA1S (0.34) | — | |
| SCHEMBL2922473 | 0.85 | TMEM97 (0.35) | — | |
| SCHEMBL2917220 | 0.85 | CACNA1S (0.32) | — | |
| SCHEMBL2921446 | 0.84 | MAPT (0.31) | — | |
| SCHEMBL2916830 | 0.83 | MEN1 (0.33) | — | |
| SCHEMBL2925215 | 0.83 | TP53 (0.37) | — | |
| SCHEMBL2925718 | 0.83 | TMEM97 (0.33) | — | |
| SCHEMBL2923072 | 0.83 | TP53 (0.35) | — |
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-1863803-B1 | SUBSTITUTED PIPERIDINES | NOVARTIS AG (CH) | 2010-09-01 | — | — | EP | disclosed |
| US-7687495-B2 | Substituted piperidines | SPEEDEL EXPERIMENTA AG (CH) | 2010-03-30 | — | — | US | disclosed |
| US-20100029628-A1 | 2,4,5-Substituted Piperidines as Renin Inhibitors | NOVARTIS AG (CH) | 2010-02-04 | — | — | US | disclosed |
| EP-1958634-A2 | Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease | Speedel Experimenta AG (CH) | 2008-08-20 | — | — | EP | disclosed |
| US-20080171748-A1 | Substituted piperidines | NOVARTIS AG (CH) | 2008-07-17 | — | — | US | disclosed |