⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL828613 | 0.87 | HRH4 (0.34) | — | |
| Methoxymethane SCHEMBL3899156 | 0.81 | HTR2C (0.34) | — | |
| SCHEMBL30147954 | 0.79 | — | — | |
| SCHEMBL1156109 | 0.79 | — | — | |
| SCHEMBL260538 | 0.79 | — | — | |
| SCHEMBL1586586 | 0.78 | KDM1A (0.31) | — | |
| Hydrochloric Acid SCHEMBL4622072 | 0.77 | — | — | |
| SCHEMBL27752202 | 0.74 | KDM1A (0.44) | — | |
| SCHEMBL28165752 | 0.73 | SLC18A3 (0.35) | — | |
| Quinoxaline SCHEMBL7485007 | 0.72 | MEN1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040044029-A1 | Azabicyclic compounds are central nervous system active agents | ABBOTT LABORATORIES | 2004-03-04 | — | — | US | disclosed |
| US-4337341-A | 4a-Aryl-octahydro-1H-2-pyrindines | ELI LILLY AND COMPANY (US) | 1982-06-29 | — | — | US | disclosed |
| EP-0002937-A1 | Novel pyrindines and their preparation, formulations and use | ELI LILLY AND COMPANY (US) | 1979-07-11 | — | — | EP | disclosed |