Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 15/20 | 0.40 |
| ▸ | DRD3 | P35462 | 10/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | FABP4 | P15090 | 3/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7063025 | 0.86 | HTR6 (0.40) | BACE1HTR6DRD3DRD2CYP3A4 | |
| SCHEMBL6582959 | 0.76 | HTR6 (0.40) | BACE1HTR6DRD3DRD2CYP3A4 | |
| SCHEMBL6215672 | 0.70 | FABP4 (0.43) | BACE1HTR6CYP3A4FABP4RAPGEF4 | |
| SCHEMBL30622545 | 0.67 | HTR6 (0.52) | BACE1HTR6FABP4RAPGEF4 | |
| SCHEMBL17514226 | 0.67 | RAPGEF4 (0.64) | BACE1HTR6FABP4RAPGEF4 | |
| SCHEMBL6213181 | 0.64 | HTR6 (0.46) | BACE1HTR6FABP4RAPGEF4 | |
| SCHEMBL6214583 | 0.64 | BACE1 (0.41) | BACE1HTR6FABP4 | |
| SCHEMBL21240885 | 0.62 | HTR6 (0.58) | BACE1HTR6DRD2FABP4RAPGEF4 | |
| SCHEMBL12994620 | 0.62 | FABP4 (0.54) | BACE1HTR6FABP4RAPGEF4 | |
| SCHEMBL3204278 | 0.62 | CYP2A6 (0.60) | BACE1HTR6DRD2FABP4RAPGEF4 |
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-1146044-B1 | CNS active cyclobuta-indole carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them | SERVIER LAB (FR) | 2004-09-01 | — | — | EP | disclosed |
| EP-1146044-A1 | CNS active cyclobuta-indole carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 2001-10-17 | — | — | EP | disclosed |