Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pexacerfont. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 known ✓ | P34998 | 2/20 | 1.00 |
| ▸ | TACR2 | P21452 | 1/20 | 1.00 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| Pexacerfont SCHEMBL2929753 | 1.00 | CRHR1 (1.00) | CRHR1TACR2 | |
| Pexacerfont SCHEMBL5235999 | 1.00 | CRHR1 (1.00) | CRHR1TACR2 | |
| Pexacerfont SCHEMBL29482255 | 1.00 | CRHR1 (1.00) | CRHR1TACR2 | |
| SCHEMBL14608733 | 0.87 | CRHR1 (0.77) | CRHR1TACR2 | |
| SCHEMBL13480613 | 0.78 | TACR2 (0.63) | CRHR1TACR2 | |
| SCHEMBL21882508 | 0.77 | CRHR1 (0.63) | CRHR1TACR2 | |
| SCHEMBL5232112 | 0.76 | TACR2 (0.60) | CRHR1TACR2 | |
| SCHEMBL20628685 | 0.67 | TACR2 (0.50) | CRHR1TACR2 | |
| SCHEMBL5233264 | 0.67 | TACR2 (0.50) | CRHR1TACR2 | |
| SCHEMBL2931046 | 0.67 | CRHR1 (1.00) | CRHR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1368094-B1 | 4-(2-BUTYLAMINO)-2,7-DIMETHYL-8-(2-METHYL-6-METHOXYPYRID-3-YL) PYRAZOLO- 1,5-A|-1,3,5-TRIAZINE, ITS ENANTIOMERS AND PHARMACEUTICALLY ACCEPTABLE SALTS AS CORTICOTROPIN RELEASING FACTOR RECEPTOR LIGANDS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2007-02-28 | — | — | EP | claimed |
| EP-1368094-B1 | 4-(2-BUTYLAMINO)-2,7-DIMETHYL-8-(2-METHYL-6-METHOXYPYRID-3-YL) PYRAZOLO- 1,5-A|-1,3,5-TRIAZINE, ITS ENANTIOMERS AND PHARMACEUTICALLY ACCEPTABLE SALTS AS CORTICOTROPIN RELEASING FACTOR RECEPTOR LIGANDS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2007-02-28 | — | — | EP | disclosed |