Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 10/20 | 0.51 |
| ▸ | TACR3 | P29371 | 9/20 | 0.51 |
| ▸ | TACR1 | P25103 | 9/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.49 |
| ▸ | CCR5 | P51681 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8012872 | 0.99 | TACR2 (0.50) | TACR2TACR3TACR1CYP2D6CYP3A4 | |
| SCHEMBL7303394 | 0.84 | TACR2 (0.73) | TACR2TACR3TACR1CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL7751635 | 0.83 | TACR2 (0.72) | TACR2TACR3TACR1CYP2D6CYP3A4 | |
| SCHEMBL7304151 | 0.83 | TACR1 (0.58) | TACR2TACR3TACR1CYP2D6CYP3A4 | |
| SCHEMBL7305744 | 0.82 | TACR3 (0.72) | TACR2TACR3TACR1CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL7751688 | 0.81 | TACR3 (0.71) | TACR2TACR3TACR1CYP2D6CYP3A4 | |
| SCHEMBL7010561 | 0.81 | TACR2 (0.61) | TACR2TACR3TACR1CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL7574957 | 0.80 | TACR1 (0.48) | TACR2TACR3TACR1CYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL6543413 | 0.80 | TACR2 (0.60) | TACR2TACR3TACR1CYP2D6CYP3A4 | |
| SCHEMBL8296155 | 0.77 | SLC6A2 (0.60) | TACR2TACR3TACR1CYP2D6CYP3A4 |
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-0673928-B1 | Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists | SANOFI SYNTHELABO (FR) | 2001-08-29 | — | — | EP | disclosed |
| EP-0673928-A1 | Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists | SANOFI (FR) | 1995-09-27 | — | — | EP | disclosed |