Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 19/20 | 0.44 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14101093 | 0.91 | CCR2 (0.43) | CCR2CCR1TMEM97SIGMAR1 | |
| SCHEMBL14599246 | 0.90 | CCR2 (0.43) | CCR2CCR1TMEM97SIGMAR1 | |
| SCHEMBL14100780 | 0.89 | CCR2 (0.43) | CCR2CCR1TMEM97SIGMAR1 | |
| SCHEMBL13759418 | 0.89 | CCR2 (0.48) | CCR2CCR1TMEM97SIGMAR1 | |
| SCHEMBL14100803 | 0.87 | CCR2 (0.43) | CCR2CCR1TMEM97SIGMAR1 | |
| SCHEMBL14599161 | 0.86 | CCR2 (0.43) | CCR2CCR1TMEM97SIGMAR1 | |
| SCHEMBL14100782 | 0.86 | CCR2 (0.47) | CCR2CCR1TMEM97SIGMAR1 | |
| SCHEMBL13759420 | 0.85 | CCR2 (0.43) | CCR2CCR1TMEM97SIGMAR1 | |
| SCHEMBL14599247 | 0.85 | CCR2 (0.61) | CCR2CCR1TMEM97SIGMAR1 | |
| SCHEMBL14100793 | 0.84 | CCR2 (0.42) | CCR2CCR1TMEM97SIGMAR1 |
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-1501803-B1 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2008-08-13 | — | — | EP | disclosed |
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | US | disclosed |