⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4401072 | 0.69 | — | — | |
| SCHEMBL19126912 | 0.69 | — | — | |
| SCHEMBL3805552 | 0.67 | — | — | |
| SCHEMBL4195546 | 0.64 | HRH4 (0.31) | — | |
| SCHEMBL17969241 | 0.59 | — | — | |
| SCHEMBL31440971 | 0.58 | — | — | |
| SCHEMBL1650443 | 0.56 | HRH4 (0.37) | — | |
| SCHEMBL128779 | 0.56 | — | — | |
| SCHEMBL21998528 | 0.54 | — | — | |
| SCHEMBL24067500 | 0.50 | SLC18A3 (0.64) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8829011-B2 | 2-aminopyrimidine compounds as serotonin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2014-09-09 | — | — | US | disclosed |
| US-8618288-B2 | Pyrimidine compounds as serotonin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-31 | — | — | US | disclosed |
| US-20110207717-A1 | 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-08-25 | — | — | US | disclosed |
| WO-2010053825-A1 | 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-05-14 | — | — | WO | disclosed |
| US-20100016281-A1 | PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-01-21 | — | — | US | disclosed |
| WO-2006044762-A3 | TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR | BAYER PHARMACEUTICALS CORP (US) | 2006-08-03 | — | — | WO | disclosed |
| WO-2006044762-A2 | TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR | BAYER PHARMACEUTICALS CORPORATION (US) | 2006-04-27 | — | — | WO | disclosed |
| WO-2006044762-A2 | TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR | BAYER PHARMACEUTICALS CORPORATION (US) | 2006-04-27 | — | — | WO | disclosed |