Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Selegiline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Selegiline SCHEMBL7722132 | 0.93 | — | — | |
| Selegiline SCHEMBL7722298 | 0.88 | MAOA (0.42) | — | |
| Selegiline SCHEMBL7727985 | 0.88 | MAOB (0.36) | — | |
| Selegiline SCHEMBL7732561 | 0.85 | — | — | |
| Selegiline SCHEMBL7726762 | 0.84 | — | — | |
| Selegiline SCHEMBL7731007 | 0.84 | MAOB (0.35) | — | |
| Selegiline SCHEMBL7729581 | 0.81 | MAOB (0.44) | — | |
| Selegiline SCHEMBL7727733 | 0.80 | MAOA (0.30) | — | |
| Selegiline SCHEMBL7732685 | 0.78 | MAOA (0.47) | — | |
| Selegiline SCHEMBL7729778 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100286124-A1 | PROP-2-YN-1-AMINE INHIBITORS OF MONOAMINE OXIDASE TYPE B | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-11-11 | — | — | US | disclosed |