⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL6448459 | 0.77 | — | — | |
| SCHEMBL10223489 | 0.74 | — | — | |
| SCHEMBL17673470 | 0.73 | — | — | |
| SCHEMBL2440303 | 0.73 | — | — | |
| SCHEMBL22098670 | 0.73 | — | — | |
| SCHEMBL16212915 | 0.73 | — | — | |
| SCHEMBL965093 | 0.73 | — | — | |
| SCHEMBL6248296 | 0.73 | — | — | |
| SCHEMBL25605959 | 0.70 | — | — | |
| SCHEMBL17393260 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6924278-B2 | Heterocyclic carboxy amines such as (2R)-1-[3,5-Bis(trifluoromethyl)benzoyl]-4-[4-((3S)-3-ethylmorpholino)-2-butynyl]-2-[(1H-indol-3-yl)methyl]piperazine, used as substance P and neurokinin antagonist for prophylaxis of diseases | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2005-08-02 | — | — | US | disclosed |
| US-20050027121-A1 | Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2005-02-03 | — | — | US | disclosed |
| US-20030114668-A1 | AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-06-19 | — | — | US | disclosed |
| EP-0993457-A1 | AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-19 | — | — | EP | disclosed |
| WO-1998057954-A1 | AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-12-23 | — | — | WO | disclosed |