Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Glycine. 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 | |
|---|---|---|---|---|
| Pyrrolidine SCHEMBL29129720 | 0.94 | GLRA1 (0.56) | — | |
| Piperidine SCHEMBL1820163 | 0.92 | GLRA1 (0.53) | — | |
| Piperazine SCHEMBL1415404 | 0.88 | GLRA1 (0.62) | — | |
| Glycine SCHEMBL11469989 | 0.88 | — | — | |
| Glycine SCHEMBL10595751 | 0.83 | — | — | |
| Glycine SCHEMBL8642558 | 0.83 | — | — | |
| Cyclopentane SCHEMBL8428600 | 0.83 | GLRA1 (0.77) | — | |
| Cyclohexane SCHEMBL3895013 | 0.83 | GLRA1 (0.77) | — | |
| Glycine SCHEMBL2916898 | 0.83 | — | — | |
| Glycine SCHEMBL4884601 | 0.83 | — | — |
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-7572792-B2 | Azetidine glycine transporter inhibitors | MERCK & CO., INC. (US) | 2009-08-11 | — | — | US | disclosed |
| US-20080021010-A1 | Azetidine Glycine Transporter Inhibitors | MERCK SHARP & DOHME LIMITED (GB) | 2008-01-24 | — | — | US | disclosed |
| CN-1946685-A | Azetidine glycine transporter inhibitors | MERCK & CO INC (US) | 2007-04-11 | — | — | CN | disclosed |
| CN-1946685-A | Azetidine glycine transporter inhibitors | MERCK & CO INC (US) | 2007-04-11 | — | — | CN | disclosed |
| EP-1745018-A1 | AZETIDINE GLYCINE TRANSPORTER INHIBITORS | Merck & Co., Inc. (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005110983-A1 | AZETIDINE GLYCINE TRANSPORTER INHIBITORS | MERCK & CO., INC. (US) | 2005-11-24 | — | — | WO | disclosed |