Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 12/20 | 0.77 |
| ▸ | TACR1 | P25103 | 12/20 | 0.77 |
| ▸ | TACR3 | P29371 | 9/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.77 |
| ▸ | CCR5 | P51681 | 6/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17131459 | 0.89 | TACR2 (0.86) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Osanetant SCHEMBL119440 | 0.87 | TACR2 (1.00) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Osanetant SCHEMBL29371450 | 0.87 | TACR2 (1.00) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Osanetant SCHEMBL4080131 | 0.87 | TACR2 (1.00) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Osanetant SCHEMBL5679271 | 0.87 | TACR2 (1.00) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Osanetant SCHEMBL30961738 | 0.87 | TACR2 (1.00) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6543284 | 0.87 | TACR2 (0.66) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Osanetant SCHEMBL6543149 | 0.86 | TACR2 (0.98) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Osanetant SCHEMBL5679471 | 0.86 | TACR2 (0.98) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7304151 | 0.85 | TACR1 (0.58) | TACR2TACR1TACR3CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6294537-B1 | NEUROKININS USED FOR TREATMENT OF DISEASES | SANOFI-SYNTHELABO (FR) | 2001-09-25 | — | — | US | disclosed |
| 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 |