⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30491090 | 0.73 | — | — | |
| SCHEMBL10375401 | 0.65 | CFTR (0.32) | — | |
| SCHEMBL3840034 | 0.63 | — | — | |
| SCHEMBL6991987 | 0.63 | CA1 (0.30) | — | |
| SCHEMBL6989362 | 0.61 | — | — | |
| SCHEMBL7912354 | 0.59 | PARP1 (0.32) | — | |
| SCHEMBL1962664 | 0.59 | P2RX1 (0.33) | — | |
| SCHEMBL10642347 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL3020239 | 0.57 | — | — | |
| SCHEMBL14520555 | 0.57 | SETD7 (0.39) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0588858-B1 | IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE | JANSSEN PHARMACEUTICA NV (BE) | 2003-09-17 | — | — | EP | disclosed |
| EP-0000716-B1 | PYRROLO(2,1-B)(3)BENZAZEPINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1983-03-09 | — | — | EP | disclosed |
| US-4242349-A | APPETITE STIMULANTS | MERCK & CO., INC. (US) | 1980-12-30 | — | — | US | disclosed |
| US-4242349-A | APPETITE STIMULANTS | MERCK & CO., INC. (US) | 1980-12-30 | — | — | US | disclosed |
| US-4242349-A | APPETITE STIMULANTS | MERCK & CO., INC. (US) | 1980-12-30 | — | — | US | disclosed |
| US-4195091-A | Appetite stimulating pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1980-03-25 | — | — | US | disclosed |
| US-4195091-A | Appetite stimulating pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1980-03-25 | — | — | US | disclosed |
| US-4148903-A | Antipsychotic, antiserotonin and antihistaminic pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1979-04-10 | — | — | US | disclosed |
| US-4148903-A | Antipsychotic, antiserotonin and antihistaminic pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1979-04-10 | — | — | US | disclosed |
| US-4148903-A | Antipsychotic, antiserotonin and antihistaminic pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1979-04-10 | — | — | US | disclosed |
| EP-0000716-A2 | Pyrrolo(2,1-b)(3)benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1979-02-21 | — | — | EP | disclosed |
| EP-0000716-A2 | Pyrrolo(2,1-b)(3)benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1979-02-21 | — | — | EP | disclosed |
| US-4112112-A | Pyrrolo[2,1-b] [3]benzazepines useful for producing a skeletal muscle relaxing or tranquilizing effect | MERCK & CO., INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4112112-A | Pyrrolo[2,1-b] [3]benzazepines useful for producing a skeletal muscle relaxing or tranquilizing effect | MERCK & CO., INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4075225-A | Pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1978-02-21 | — | — | US | disclosed |
| US-4056536-A | CHEMICAL INTERMEDIATES | MERCK & CO., INC. (US) | 1977-11-01 | — | — | US | disclosed |