⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1079894 | 0.81 | GABRA1 (0.40) | — | |
| SCHEMBL1379817 | 0.78 | GABRA1 (0.38) | — | |
| SCHEMBL4737660 | 0.76 | — | — | |
| SCHEMBL7213697 | 0.75 | — | — | |
| SCHEMBL7616893 | 0.74 | GABRA1 (0.43) | — | |
| SCHEMBL18765144 | 0.72 | GAA (0.43) | — | |
| SCHEMBL433019 | 0.71 | CYP3A4 (0.42) | — | |
| SCHEMBL2158571 | 0.70 | SLC6A4 (0.36) | — | |
| SCHEMBL1264261 | 0.69 | TDP1 (0.40) | — | |
| SCHEMBL7559119 | 0.67 | TAAR1 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5932571-A | 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) | 1999-08-03 | — | — | US | disclosed |