⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15932167 | 0.79 | SLC6A9 (0.39) | — | |
| SCHEMBL24176427 | 0.77 | SLC6A9 (0.38) | — | |
| SCHEMBL26711005 | 0.75 | SLC6A9 (0.40) | — | |
| SCHEMBL23053916 | 0.75 | — | — | |
| SCHEMBL26745951 | 0.73 | — | — | |
| SCHEMBL24176429 | 0.73 | SLC6A9 (0.39) | — | |
| SCHEMBL24680322 | 0.71 | SLC6A9 (0.30) | — | |
| SCHEMBL24681030 | 0.70 | — | — | |
| SCHEMBL10374197 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL25649720 | 0.67 | LMNA (0.32) | — |
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-9586968-B2 | Bicycloamine-substituted-N-benzenesulfonamide compounds with selective activity in voltage-gated sodium channels | MERCK SHARP & DOHME CORP. (US) | 2017-03-07 | — | — | US | disclosed |
| US-9586968-B2 | Bicycloamine-substituted-N-benzenesulfonamide compounds with selective activity in voltage-gated sodium channels | MERCK SHARP & DOHME CORP. (US) | 2017-03-07 | — | — | US | disclosed |
| US-20170002008-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2017-01-05 | — | — | US | disclosed |
| EP-3074402-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | Merck Sharp & Dohme Corp. (US) | 2016-10-05 | — | — | EP | disclosed |
| WO-2015080988-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2015-06-04 | — | — | WO | disclosed |
| WO-2015077905-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2015-06-04 | — | — | WO | disclosed |
| WO-2015077905-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2015-06-04 | — | — | WO | disclosed |
| US-5399562-A | 5-hydroxytryptamine agonists or antagonists; gastrointestinal disorders | G. D. SEARLE & CO. (US) | 1995-03-21 | — | — | US | disclosed |
| EP-0345711-B1 | Process for the preparation of pyrrolizine derivatives | SANWA KAGAKU KENKYUSHO CO (JP) | 1994-09-07 | — | — | EP | disclosed |