⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2684607 | 0.81 | — | — | |
| SCHEMBL2685848 | 0.78 | ESR1 (0.34) | — | |
| SCHEMBL6041790 | 0.78 | ESR1 (0.34) | — | |
| SCHEMBL6043559 | 0.76 | ESR2 (0.36) | — | |
| SCHEMBL6043554 | 0.76 | ESR2 (0.36) | — | |
| SCHEMBL2977577 | 0.75 | PDE4B (0.37) | — | |
| SCHEMBL2253550 | 0.75 | PDE4B (0.37) | — | |
| SCHEMBL534684 | 0.72 | DPP4 (0.31) | — | |
| SCHEMBL3905395 | 0.72 | PAX8 (0.36) | — | |
| SCHEMBL8186963 | 0.71 | HDAC4 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120115859-A1 | 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | HEROLD PETER (CH) | 2012-05-10 | — | — | US | disclosed |
| US-20090270380-A1 | 3,4,5-Substituted Piperidines as Renin Inhibitors | NOVARTIS AG (CH) | 2009-10-29 | — | — | US | disclosed |
| EP-1863763-A1 | 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | Speedel Experimenta AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| EP-1816122-A2 | 3,4,5-substituted piperidines as therapeutic compounds | Speedel Experimenta AG (CH) | 2007-08-08 | — | — | EP | disclosed |
| US-20070167433-A1 | 3,4,5-Substituted piperidines as therapeutic compounds | SPEEDEL EXPERIMENTA AG (CH) | 2007-07-19 | — | — | US | disclosed |
| WO-2006103275-A1 | 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | SPEEDEL EXPERIMENTA AG (CH) | 2006-10-05 | — | — | WO | disclosed |