Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 20/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | TACR2 | P21452 | 9/20 | 0.52 |
| ▸ | TACR1 | P25103 | 8/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14850740 | 1.00 | TACR3 (0.56) | TACR3CYP2C9CYP2C19CYP3A4TACR2 | |
| SCHEMBL14850771 | 0.85 | TACR3 (0.57) | TACR3CYP2C9CYP2C19CYP3A4TACR2 | |
| SCHEMBL17656133 | 0.85 | TACR3 (0.57) | TACR3CYP2C9CYP2C19CYP3A4TACR2 | |
| SCHEMBL14850810 | 0.84 | TACR3 (0.58) | TACR3CYP2C9CYP2C19CYP3A4TACR2 | |
| SCHEMBL14850786 | 0.84 | TACR3 (0.58) | TACR3CYP2C9CYP2C19CYP3A4TACR2 | |
| SCHEMBL20668895 | 0.82 | TACR3 (0.54) | TACR3CYP2C9CYP2C19CYP3A4TACR2 | |
| SCHEMBL19681420 | 0.81 | TACR3 (0.56) | TACR3CYP2C9CYP2C19CYP3A4TACR2 | |
| SCHEMBL17804398 | 0.78 | TACR3 (0.54) | TACR3CYP2C9CYP2C19CYP3A4TACR2 | |
| SCHEMBL14850792 | 0.78 | TACR3 (0.54) | TACR3CYP2C9CYP2C19CYP3A4TACR2 | |
| SCHEMBL14850852 | 0.76 | TACR3 (0.57) | TACR3CYP2C9CYP2C19CYP3A4TACR2 |
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-2763992-B9 | NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, AND METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS | EUROSCREEN SA (BE) | 2016-08-24 | — | — | EP | disclosed |
| EP-3029042-A1 | NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF | Euroscreen S.A. (BE) | 2016-06-08 | — | — | EP | disclosed |
| EP-2763992-B1 | NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, AND METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS | EUROSCREEN SA (BE) | 2016-04-06 | — | — | EP | disclosed |