⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18175523 | 0.42 | — | — | |
| SCHEMBL15029211 | 0.38 | — | — | |
| SCHEMBL31175398 | 0.34 | — | — | |
| Methylamine SCHEMBL632 | 0.29 | — | — | |
| Methylamine SCHEMBL1331361 | 0.29 | — | — | |
| Methylamine SCHEMBL31337913 | 0.29 | — | — | |
| Methylamine SCHEMBL6988408 | 0.29 | — | — | |
| Methylamine SCHEMBL1330940 | 0.29 | — | — | |
| Methylamine SCHEMBL1331336 | 0.29 | — | — | |
| Benzene SCHEMBL1632914 | 0.28 | TSHR (0.43) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8202868-B2 | 4-piperazinyl-pyrimidine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor | ABBOTT GMBH & CO. KG (DE) | 2012-06-19 | — | — | US | disclosed |
| EP-1831201-B1 | PIPERIDINE AND AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS | MERCK SHARP & DOHME (GB) | 2010-08-04 | — | — | EP | disclosed |
| US-7655644-B2 | Piperidine and azetidine derivatives as GlyT1 inhibitors | MERCK SHARP & DOHME LIMITED (GB) | 2010-02-02 | — | — | US | disclosed |
| US-20090264437-A1 | 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor | ABBOTT GMBH & CO. KG (DE) | 2009-10-22 | — | — | US | disclosed |
| US-20080090796-A1 | Piperidine And Azetidine Derivatives As Glyt1 Inhibitors | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2008-04-17 | — | — | US | disclosed |
| EP-1831201-A1 | PIPERIDINE AND AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS | MERCK SHARP & DOHME LTD. (GB) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006067529-A1 | PIPERIDINE AND AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2006-06-29 | — | — | WO | disclosed |