Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL17233199 | 0.94 | TACR1 (0.49) | TACR1 | |
| SCHEMBL15215513 | 0.92 | TACR1 (0.46) | TACR1 | |
| SCHEMBL15215507 | 0.91 | TACR1 (0.45) | TACR1 | |
| SCHEMBL15215468 | 0.91 | TACR1 (0.45) | TACR1 | |
| SCHEMBL15215516 | 0.90 | TACR1 (0.44) | TACR1 | |
| SCHEMBL15215506 | 0.89 | TACR1 (0.44) | TACR1 | |
| SCHEMBL15215465 | 0.89 | TACR1 (0.43) | TACR1 | |
| SCHEMBL17233215 | 0.88 | TACR1 (0.51) | TACR1 | |
| SCHEMBL17935786 | 0.87 | TACR1 (0.46) | TACR1 | |
| SCHEMBL17932851 | 0.87 | TACR1 (0.46) | TACR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2817312-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA AS (DK) | 2016-02-17 | — | — | EP | disclosed |
| US-9181259-B2 | Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists | LEO PHARMA A/S (DK) | 2015-11-10 | — | — | US | disclosed |
| US-9181259-B2 | Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists | LEO PHARMA A/S (DK) | 2015-11-10 | — | — | US | disclosed |
| US-9181259-B2 | Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists | LEO PHARMA A/S (DK) | 2015-11-10 | — | — | US | disclosed |
| WO-2013124286-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA A/S (DK) | 2013-08-29 | — | — | WO | disclosed |