⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2501307 | 0.73 | CHRNB2 (0.42) | — | |
| SCHEMBL3153525 | 0.73 | TRPM5 (0.41) | — | |
| SCHEMBL10850914 | 0.73 | HTR2C (0.45) | — | |
| SCHEMBL6984441 | 0.73 | TRPV4 (0.33) | — | |
| SCHEMBL6583916 | 0.73 | HSD17B10 (0.36) | — | |
| SCHEMBL7539838 | 0.69 | PNMT (0.41) | — | |
| SCHEMBL3163095 | 0.69 | CHRNA7 (0.47) | — | |
| SCHEMBL16864134 | 0.69 | SLC6A2 (0.38) | — | |
| SCHEMBL1722308 | 0.67 | GRIN2D (0.41) | — | |
| SCHEMBL6987426 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1146041-B1 | Derivatives of heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane and their use as inhibitors of the recapture of serotonine and of noradrenaline | SERVIER LAB (FR) | 2003-11-12 | — | — | EP | disclosed |
| US-6420413-B2 | 1-(6-((DIMETHYLAMINO)METHYL)-1-METHYL-2,3,5,6-TETRAHYDRO-1H -CYCLOBUTA(F) INDOL-6-YL)CYCLOHEXANOL, FOR EXAMPLE; TREATING PSYCHOLOGICAL DISORDERS SUCH AS DEPRESSION, PANIC ATTACKS, PHOBIAS, DRUG ABUSE, AS WELL AS OBESITY AND BULEMIA | LES LABORATORIES SERVIER (FR) | 2002-07-16 | — | — | US | disclosed |
| US-20020019380-A1 | Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds | LES LABORATOIRES SERVIER (FR) | 2002-02-14 | — | — | US | disclosed |
| EP-1146041-A1 | Derivatives of heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane and their use as inhibitors of the recapture of serotonine and of noradrenaline | ADIR ET COMPAGNIE (FR) | 2001-10-17 | — | — | EP | disclosed |