⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27983420 | 0.75 | — | — | |
| SCHEMBL6255517 | 0.75 | — | — | |
| SCHEMBL1035723 | 0.75 | — | — | |
| SCHEMBL9732644 | 0.75 | — | — | |
| SCHEMBL1471286 | 0.75 | — | — | |
| SCHEMBL10677998 | 0.71 | — | — | |
| SCHEMBL3645962 | 0.71 | — | — | |
| SCHEMBL9367007 | 0.71 | — | — | |
| SCHEMBL10584721 | 0.68 | DRD4 (0.33) | — | |
| SCHEMBL6519228 | 0.67 | CA12 (0.46) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3197868-A1 | N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B | Luc Therapeutics, Inc. (US) | 2017-08-02 | — | — | EP | disclosed |
| EP-3036221-A1 | SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B | Luc Therapeutics, Inc. (US) | 2016-06-29 | — | — | EP | disclosed |
| WO-2016049165-A1 | N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B | MNEMOSYNE PHARMACEUTICALS, INC. (US) | 2016-03-31 | — | — | WO | disclosed |
| WO-2015048507-A1 | SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B | MNEMOSYNE PHARMACEUTICALS, INC. (US) | 2015-04-02 | — | — | WO | disclosed |
| EP-1358169-A2 | DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002057261-A2 | DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-25 | — | — | WO | disclosed |