Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | CCR8 | P51685 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31336937 | 0.79 | GPBAR1 (0.30) | BRD4 | |
| SCHEMBL31336841 | 0.74 | CCR1 (0.35) | CCR1CCR8KCNJ1CYP1A2 | |
| SCHEMBL20135908 | 0.73 | OPRK1 (0.37) | CCR1CCR5CCR8KMT2AOPRK1 | |
| SCHEMBL1206724 | 0.72 | NOS3 (0.46) | CCR1CCR5CCR8KMT2AKCNJ1 | |
| SCHEMBL20502495 | 0.72 | CCR1 (0.42) | CCR1CCR5CCR8KMT2AOPRK1 | |
| SCHEMBL16278111 | 0.71 | ALDH1A1 (0.46) | KMT2ACYP1A2CYP19A1 | |
| SCHEMBL20135912 | 0.71 | ERN1 (0.38) | CCR1CCR5CCR8KMT2ACYP1A2 | |
| SCHEMBL20578689 | 0.71 | S100A4 (0.41) | CCR1CCR5CCR8KMT2A | |
| SCHEMBL16030972 | 0.70 | HCAR2 (0.42) | CCR1CCR5CCR8HCRTR1 | |
| SCHEMBL16302869 | 0.69 | CCR1 (0.34) | CCR1CCR5CCR8KMT2AKCNJ1 |
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-2970207-B1 | SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-16 | — | — | EP | claimed |
| CN-110669052-B | Substituted 2-azabicyclic compounds and their use as orexin receptor modulators | 詹森药业有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-110669052-A | Substituted 2-azabicyclic compounds and their use as orexin receptor modulators | 詹森药业有限公司 | 2020-01-10 | — | — | CN | disclosed |