Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 5/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.33 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL526425 | 0.85 | GRIN1 (0.46) | OPRL1OPRM1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL1919376 | 0.83 | GRIN1 (0.44) | OPRL1OPRM1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL29775660 | 0.83 | GRIN1 (0.44) | OPRL1OPRM1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL1937321 | 0.83 | GRIN1 (0.44) | OPRL1OPRM1CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL2530809 | 0.83 | GRIN1 (0.44) | OPRL1OPRM1CHRM2CHRM4CHRM5 | |
| SCHEMBL1515504 | 0.81 | GRIN1 (0.47) | OPRL1OPRM1CHRM2CHRM4CHRM5 | |
| SCHEMBL31116789 | 0.81 | GRIN1 (0.51) | OPRL1OPRM1GRIN1GRIN2AGRIN2B | |
| SCHEMBL29857697 | 0.81 | GRIN1 (0.47) | OPRL1OPRM1CHRM2CHRM4CHRM5 | |
| SCHEMBL2904725 | 0.81 | OPRL1 (0.50) | OPRL1OPRM1CHRM2CHRM4CHRM5 | |
| SCHEMBL2904732 | 0.81 | OPRL1 (0.50) | OPRL1OPRM1CHRM2CHRM4CHRM5 |
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-1385825-B1 | SUBSTITUTED 2-PYRIDINE-CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-08-15 | — | — | EP | claimed |
| EP-1385825-B1 | SUBSTITUTED 2-PYRIDINE-CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-08-15 | — | — | EP | disclosed |
| CN-1307158-C | Substituted 2-pyrrole cyclohexan-1,4-diamine derivatives | GRUENENTHAL GMBH (DE) | 2007-03-28 | — | — | CN | disclosed |
| CN-1537100-A | Substituted 2-pyrrole cyclohexan-1,4-diamine derivatives | — | 2004-10-13 | — | — | CN | disclosed |
| EP-1385825-A1 | SUBSTITUTED 2-PYRIDINE-CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002090330-A1 | SUBSTITUTED 2-PYRIDINE-CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2002-11-14 | — | — | WO | disclosed |