Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 15/20 | 0.48 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6595957 | 0.93 | TACR2 (0.46) | TACR2TACR1 | |
| SCHEMBL6598925 | 0.93 | TACR2 (0.48) | TACR2TACR1 | |
| SCHEMBL6595836 | 0.92 | TACR2 (0.59) | TACR2TACR1 | |
| SCHEMBL6599528 | 0.92 | TACR2 (0.40) | TACR2TACR1CCR5 | |
| SCHEMBL6594867 | 0.91 | TACR2 (0.44) | TACR2TACR1 | |
| SCHEMBL6597483 | 0.91 | TACR2 (0.47) | TACR2TACR1 | |
| SCHEMBL6598098 | 0.91 | TACR2 (0.48) | TACR2TACR1 | |
| SCHEMBL6596796 | 0.90 | TACR2 (0.50) | TACR2TACR1CCR5 | |
| SCHEMBL6599077 | 0.90 | TACR2 (0.54) | TACR2TACR1 | |
| SCHEMBL6596189 | 0.89 | TACR2 (0.43) | TACR2TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0888338-B1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | AVENTIS PHARMA INC (US) | 2004-11-17 | — | — | EP | disclosed |
| EP-0888338-A1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997030991-A1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1997-08-28 | — | — | WO | disclosed |