⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11291187 | 0.72 | NPC1 (0.33) | — | |
| SCHEMBL16047148 | 0.65 | IDO1 (0.41) | — | |
| SCHEMBL29727870 | 0.65 | IDO1 (0.41) | — | |
| SCHEMBL28765704 | 0.61 | MAOB (0.45) | — | |
| SCHEMBL168935 | 0.59 | PDGFRA (0.52) | — | |
| SCHEMBL22134876 | 0.59 | — | — | |
| SCHEMBL10900576 | 0.59 | MAOA (0.36) | — | |
| SCHEMBL14042850 | 0.58 | MAOA (0.31) | — | |
| SCHEMBL29353131 | 0.58 | MAPT (0.41) | — | |
| SCHEMBL156862 | 0.58 | MAPT (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1696931-A2 | AMINO SUBSTITUTED DIARYL [A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS | Acadia Pharmaceuticals Inc. (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005063254-A2 | AMINO SUBSTITUTED DIARYL[A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS | ACADIA PHARMACEUTICALS INC. (US) | 2005-07-14 | — | — | WO | disclosed |