⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9741240 | 0.83 | ADRA2B (0.30) | — | |
| SCHEMBL27485552 | 0.77 | — | — | |
| SCHEMBL64051 | 0.74 | GABRA1 (0.41) | — | |
| SCHEMBL218223 | 0.74 | — | — | |
| SCHEMBL972186 | 0.73 | — | — | |
| SCHEMBL455177 | 0.73 | — | — | |
| SCHEMBL1933231 | 0.73 | — | — | |
| SCHEMBL455634 | 0.73 | — | — | |
| SCHEMBL456598 | 0.73 | — | — | |
| SCHEMBL2390537 | 0.73 | — | — |
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-1102751-A4 | NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES | UNIV GEORGETOWN (US) | 2005-06-22 | — | — | EP | claimed |
| EP-1102751-A1 | NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES | Georgetown University (US) | 2001-05-30 | — | — | EP | claimed |
| US-6150376-A | TROPANE-DERIVED MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS EXHIBIT SELECTIVITY FOR EITHER THE SEROTONIN OR DOPAMINE TRANSPORTER; SIDE-EFFECT REDUCTION; ANTIDEPRESSANTS, COGNITION ACTIVATORS; PSYCHOLOGICAL DISORDERS | GEORGETOWN UNIVERSITY (US) | 2000-11-21 | — | — | US | claimed |
| WO-2000007994-A1 | NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES | GEORGETOWN UNIVERSITY (US) | 2000-02-17 | — | — | WO | claimed |
| US-3958562-A | Implantable pressure sensor | HAKIM COMPANY LIMITED (WI) | 1976-05-25 | — | — | US | disclosed |