Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | CNR2 | P34972 | 12/20 | 0.46 |
| ▸ | CNR1 | P21554 | 9/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALPG | P10696 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL531127 | 0.86 | MEN1 (0.63) | MEN1KMT2AALDH1A1LMNAMAPT | |
| SCHEMBL531126 | 0.86 | MEN1 (0.63) | MEN1KMT2AALDH1A1LMNAMAPT | |
| SCHEMBL11398927 | 0.84 | CYP2A6 (0.47) | MEN1KMT2AALDH1A1LMNAMAPT | |
| SCHEMBL7044936 | 0.84 | CYP2A6 (0.47) | MEN1KMT2AALDH1A1LMNAMAPT | |
| SCHEMBL4567104 | 0.82 | ALDH1A1 (0.62) | MEN1KMT2AALDH1A1LMNAMAPT | |
| SCHEMBL3748597 | 0.82 | ALDH1A1 (0.62) | MEN1KMT2AALDH1A1LMNAMAPT | |
| Iodide SCHEMBL592722 | 0.81 | ALDH1A1 (0.66) | MEN1KMT2AALDH1A1LMNAMAPT | |
| Iodide SCHEMBL592723 | 0.81 | ALDH1A1 (0.66) | MEN1KMT2AALDH1A1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL28621623 | 0.81 | ALDH1A1 (0.61) | MEN1KMT2AALDH1A1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL28621621 | 0.81 | ALDH1A1 (0.61) | MEN1KMT2AALDH1A1LMNAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501830-A1 | 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES | Actelion Pharmaceuticals Ltd. (CH) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093267-A1 | 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES | ACTELION PHARMACEUTICALS LTD (CH) | 2003-11-13 | — | — | WO | disclosed |