⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1022724 | 0.78 | ATM (0.38) | — | |
| SCHEMBL14449432 | 0.77 | SHBG (0.32) | — | |
| SCHEMBL1124861 | 0.73 | HRH3 (0.36) | — | |
| SCHEMBL509853 | 0.72 | THRB (0.34) | — | |
| SCHEMBL24180252 | 0.72 | THRB (0.32) | — | |
| SCHEMBL13681544 | 0.69 | THRB (0.34) | — | |
| SCHEMBL8427359 | 0.68 | ACHE (0.39) | — | |
| SCHEMBL28418499 | 0.66 | ERN1 (0.46) | — | |
| SCHEMBL28328981 | 0.66 | KMT2A (0.34) | — | |
| SCHEMBL13681471 | 0.66 | ALDH1A1 (0.42) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6495688-B2 | USED AS CORTICOTROPIN-RELEASING FACTOR (CRF) ANTAGONISTS, IN THERAPY AND DIAGNOSIS OF STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY | NEUROGEN CORPORATION | 2002-12-17 | — | — | US | disclosed |
| US-20020065290-A1 | Novel deazapurine derivatives: a new class of CRF1 specific ligands | NEUROGEN CORPORATION | 2002-05-30 | — | — | US | disclosed |
| US-6281220-B1 | PYRROLO(3,2-D)PYRIMIDIN-4-AMINES AND PYRROLO(3,2-B)PYRIDIN-4-AMINES, AND THEIR USE AS ANTAGONISTS OF CORTICOTROPIN-RELEASING FACTOR | NEUROGEN CORPORATION | 2001-08-28 | — | — | US | disclosed |
| US-6020492-A | Deazapurine derivatives; a new class of CRF1 specific ligands | NEUROGEN CORPORATION (US) | 2000-02-01 | — | — | US | disclosed |
| EP-0770080-B1 | NOVEL DEAZAPURINE DERIVATIVES; A NEW CLASS OF CRF1 SPECIFIC LIGANDS | NEUROGEN CORP (US) | 1999-07-14 | — | — | EP | disclosed |
| US-5847136-A | Deazapurine derivatives; a new class of CRF1 specific ligands | NEUROGEN CORPORATION (US) | 1998-12-08 | — | — | US | disclosed |
| US-5804685-A | PARTIAL AGONISTS OR ANTAGONISTS AT CORTICOTROPIN-RELEASING FACTOR RECEPTORS; FOR DIAGNOSIS AND TREATMENT OF STRESS DISORDERS | NEUROGEN CORPORATION (US) | 1998-09-08 | — | — | US | disclosed |
| US-5644057-A | Deazapurine derivatives; a new class of CRF1 specific ligands | NEUROGEN CORPORATION (US) | 1997-07-01 | — | — | US | disclosed |
| EP-0770080-A1 | NOVEL DEAZAPURINE DERIVATIVES; A NEW CLASS OF CRF1 SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 1997-05-02 | — | — | EP | disclosed |
| WO-1996035689-A1 | NOVEL DEAZAPURINE DERIVATIVES; A NEW CLASS OF CRF1 SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 1996-11-14 | — | — | WO | disclosed |