Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.67 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.67 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.67 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL9492767 | 0.96 | SIGMAR1 (0.73) | SIGMAR1OPRM1OPRD1OPRK1 | |
| SCHEMBL7953855 | 0.91 | SIGMAR1 (0.65) | SIGMAR1OPRM1OPRD1OPRK1 | |
| SCHEMBL9643796 | 0.91 | SIGMAR1 (0.65) | SIGMAR1OPRM1OPRD1OPRK1 | |
| SCHEMBL9702815 | 0.88 | SIGMAR1 (0.60) | SIGMAR1OPRM1OPRD1OPRK1 | |
| SCHEMBL9493300 | 0.84 | OPRK1 (0.93) | SIGMAR1OPRM1OPRD1OPRK1 | |
| SCHEMBL14367943 | 0.84 | OPRK1 (0.93) | SIGMAR1OPRM1OPRD1OPRK1 | |
| 1,2-Dichlorobenzene SCHEMBL9702706 | 0.83 | SIGMAR1 (0.68) | SIGMAR1OPRM1OPRD1OPRK1 | |
| 1,2-Dichlorobenzene SCHEMBL9702827 | 0.83 | SIGMAR1 (0.68) | SIGMAR1OPRM1OPRD1OPRK1 | |
| SCHEMBL9492502 | 0.81 | SIGMAR1 (0.66) | SIGMAR1OPRM1OPRD1OPRK1 | |
| SCHEMBL9748062 | 0.80 | OPRK1 (1.00) | SIGMAR1OPRM1OPRD1OPRK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0329563-B1 | BENZOCYCLOHEXANE AND BENZOCYCLOHEPTANE DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1993-04-21 | — | — | EP | disclosed |
| US-5130329-A | Amino, amide substituted compounds | ROUSSEL UCLAF (FR) | 1992-07-14 | — | — | US | disclosed |
| US-5068244-A | Benzcarbocyclic amides with nitro groups | ROUSSEL UCLAF (FR) | 1991-11-26 | — | — | US | disclosed |
| EP-0329563-A2 | Benzocyclohexane and benzocycloheptane derivatives and their salts, process and intermediates for their preparation, their use as medicines and compositions containing them | ROUSSEL-UCLAF (FR) | 1989-08-23 | — | — | EP | disclosed |