Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 7/20 | 0.69 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9501387 | 0.81 | CCKBR (1.00) | CCKBROPRD1OPRK1 | |
| SCHEMBL9499814 | 0.81 | CCKBR (0.73) | CCKBROPRD1OPRK1OPRM1 | |
| Hydrochloric Acid SCHEMBL9499318 | 0.80 | CCKBR (0.72) | CCKBROPRD1OPRK1OPRM1 | |
| SCHEMBL9528595 | 0.77 | CCKBR (0.67) | CCKBROPRD1OPRK1OPRM1 | |
| Water SCHEMBL9531575 | 0.76 | CCKBR (0.66) | CCKBROPRD1OPRK1OPRM1 | |
| SCHEMBL9501135 | 0.71 | CCKBR (0.64) | CCKBROPRD1OPRK1OPRM1 | |
| SCHEMBL9529190 | 0.71 | CCKBR (0.51) | CCKBROPRD1OPRK1OPRM1 | |
| SCHEMBL9528505 | 0.71 | CCKBR (0.67) | CCKBROPRD1OPRK1 | |
| Water SCHEMBL10666524 | 0.70 | CCKBR (0.66) | CCKBROPRD1OPRK1 | |
| SCHEMBL9500427 | 0.70 | CCKBR (1.00) | CCKBROPRD1OPRK1 |
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-0166356-B1 | 2-SUBSTITUTED-AMINOMETHYL-1,4-BENZODIAZEPINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1993-09-01 | — | — | EP | claimed |
| EP-0166356-A2 | 2-Substituted-aminomethyl-1,4-benzodiazepines, process for their preparation and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1986-01-02 | — | — | EP | disclosed |