Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 19/20 | 0.60 |
| ▸ | CCR5 | P51681 | 1/20 | 0.55 |
| ▸ | CCR1 | P32246 | 1/20 | 0.53 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL14101200 | 0.93 | CCR2 (0.61) | CCR2CCR5CCR1TMEM97SIGMAR1 | |
| SCHEMBL14100932 | 0.91 | CCR2 (0.63) | CCR2CCR5CCR1TMEM97SIGMAR1 | |
| SCHEMBL14100706 | 0.90 | CCR2 (0.61) | CCR2CCR5CCR1TMEM97SIGMAR1 | |
| SCHEMBL14599247 | 0.90 | CCR2 (0.61) | CCR2CCR5CCR1TMEM97SIGMAR1 | |
| SCHEMBL14100726 | 0.89 | CCR2 (0.62) | CCR2CCR5CCR1TMEM97SIGMAR1 | |
| SCHEMBL14100991 | 0.89 | CCR2 (0.65) | CCR2CCR5CCR1TMEM97SIGMAR1 | |
| SCHEMBL14100996 | 0.88 | CCR2 (0.64) | CCR2CCR5CCR1TMEM97SIGMAR1 | |
| SCHEMBL14599282 | 0.88 | CCR2 (0.62) | CCR2CCR5CCR1TMEM97SIGMAR1 | |
| SCHEMBL14100794 | 0.87 | CCR2 (0.65) | CCR2CCR5CCR1TMEM97SIGMAR1 | |
| SCHEMBL14100795 | 0.87 | CCR2 (0.65) | CCR2CCR5CCR1TMEM97SIGMAR1 |
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 3 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 |
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | US | disclosed |