Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.48 |
| ▸ | CCR5 | P51681 | 2/20 | 0.45 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | TACR3 | P29371 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6962536 | 0.89 | TACR1 (0.48) | TACR1CCR5TACR2TACR3 | |
| SCHEMBL7819383 | 0.76 | TACR1 (0.62) | TACR1CCR5TACR2TACR3 | |
| SCHEMBL7956540 | 0.75 | CCR5 (0.58) | TACR1CCR5TACR2TACR3 | |
| SCHEMBL6950674 | 0.72 | BACE1 (0.45) | — | |
| SCHEMBL7947464 | 0.72 | CCR5 (0.54) | TACR1CCR5TACR2TACR3 | |
| SCHEMBL4631654 | 0.70 | TACR1 (0.49) | TACR1CCR5TACR2TACR3 | |
| SCHEMBL6962400 | 0.70 | TACR1 (0.47) | TACR1TACR2 | |
| SCHEMBL6962532 | 0.70 | TACR1 (0.40) | TACR1TACR2TACR3 | |
| SCHEMBL7137053 | 0.70 | TACR2 (0.59) | TACR1CCR5TACR2TACR3 | |
| SCHEMBL8203185 | 0.70 | TACR1 (0.68) | TACR1CCR5TACR2TACR3 |
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-0790248-B1 | 3-Aza-piperidone- (tetrahydropyrimidin-2-one) and 3-oxa-piperidone (1,3 oxazin-2-one) derivatives, their preparation and their use as tachykinin/neurokinin antagonists | PFIZER LTD (GB) | 2003-05-28 | — | — | EP | disclosed |
| US-5846965-A | 3-aza and 3-oxa piperidone tachykinin antagonists | PFIZER INC. (US) | 1998-12-08 | — | — | US | disclosed |
| EP-0790248-A1 | 3-Aza-piperidone- (tetrahydropyrimidin-2-one) and 3-oxa-piperidone (1,3 oxazin-2-one) derivatives, their preparation and their use as tachykinin/neurokinin antagonists | Pfizer Limited (GB) | 1997-08-20 | — | — | EP | disclosed |