⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5591327 | 0.81 | — | — | |
| SCHEMBL28097747 | 0.64 | — | — | |
| SCHEMBL570008 | 0.62 | — | — | |
| SCHEMBL7754689 | 0.62 | — | — | |
| SCHEMBL11302257 | 0.62 | — | — | |
| SCHEMBL10783560 | 0.59 | — | — | |
| SCHEMBL9076345 | 0.58 | — | — | |
| SCHEMBL18470774 | 0.57 | — | — | |
| SCHEMBL16015581 | 0.56 | — | — | |
| SCHEMBL14686048 | 0.55 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6784181-B2 | LIGANDS FOR THE DELTA RECEPTOR | ASTRAZENECA AB (SE) | 2004-08-31 | — | — | US | disclosed |
| EP-1242402-B1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2003-11-12 | — | — | EP | disclosed |
| US-20030119845-A1 | Novel compounds | ASTRAZENECA AB (SE) | 2003-06-26 | — | — | US | disclosed |
| EP-1242402-A2 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001045637-A2 | NOVEL 4(PIPERAZINYL (8-QUINOLINYL)METYL)BENZAMIDES | ASTRAZENECA AB (SE) | 2001-06-28 | — | — | WO | disclosed |
| EP-0666856-B1 | 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2000-01-05 | — | — | EP | disclosed |
| US-5620989-A | NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; PARTICULARLY ANTAGONISTIC FOR SUBSTANCE P | MERCK SHARP & DOHME LIMITED (GB) | 1997-04-15 | — | — | US | disclosed |
| EP-0666856-A1 | 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1995-08-16 | — | — | EP | disclosed |
| WO-1994010165-A1 | 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-11 | — | — | WO | disclosed |