⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3537351 | 1.00 | — | — | |
| SCHEMBL3539429 | 0.81 | NPC1 (0.38) | — | |
| SCHEMBL3539428 | 0.81 | NPC1 (0.38) | — | |
| SCHEMBL8242237 | 0.78 | CNR1 (0.31) | — | |
| SCHEMBL3049756 | 0.74 | TP53 (0.32) | — | |
| SCHEMBL5918431 | 0.74 | SLC6A9 (0.35) | — | |
| SCHEMBL3537221 | 0.73 | SLC6A9 (0.34) | — | |
| SCHEMBL3537225 | 0.73 | SLC6A9 (0.34) | — | |
| SCHEMBL3057467 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL3538266 | 0.68 | NPC1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1893566-B1 | CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA | MERCK SHARP & DOHME (GB) | 2013-02-13 | — | — | EP | disclosed |
| US-7851638-B2 | Cyclohexanesulfonyl derivatives as GLYT1 inhibitors to treat schizophrenia | MERCK SHARP & DOHME LIMITED (GB) | 2010-12-14 | — | — | US | disclosed |
| US-20100029726-A1 | CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2010-02-04 | — | — | US | disclosed |
| US-7626056-B2 | 2,4-Dichloro-N-(4-cyclopropylmethanesulfonyl-1-cyclopropylmethylcyclohexyl-methyl) benzamide; glutamatergic neurotransmission dysfunction and diseases; dementia; antidepressants; learning enhancement; cognition activators; attention deficit disorders; autism; eating disorders; anxiolytic agents | MERCK SHARP & DOHME LIMITED (GB) | 2009-12-01 | — | — | US | disclosed |
| US-20060276655-A1 | Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2006-12-07 | — | — | US | disclosed |