Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Cyclohexylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL7801657 | 0.92 | KDM4E (0.52) | KDM4EALDH1A1SMN1; SMN2HTTDHODH | |
| Cyclopentanamine SCHEMBL7800383 | 0.91 | KDM4E (0.53) | KDM4EALDH1A1SMN1; SMN2HTTDHODH | |
| Cyclohexylamine SCHEMBL7798160 | 0.89 | DHODH (0.39) | KDM4EALDH1A1SMN1; SMN2HTTDHODH | |
| Ornithine SCHEMBL7800568 | 0.88 | DPP8 (0.41) | KDM4EALDH1A1SMN1; SMN2HTTDHODH | |
| Lysine SCHEMBL7793183 | 0.87 | DPP8 (0.44) | KDM4EALDH1A1SMN1; SMN2HTTDHODH | |
| Lysine SCHEMBL7802165 | 0.87 | DPP8 (0.44) | KDM4EALDH1A1SMN1; SMN2HTTDHODH | |
| Cyclohexylamine SCHEMBL7792801 | 0.85 | DHODH (0.41) | KDM4EALDH1A1SMN1; SMN2HTTDHODH | |
| Cyclohexylamine SCHEMBL7792803 | 0.85 | DHODH (0.41) | KDM4EALDH1A1SMN1; SMN2HTTDHODH | |
| Cyclohexylamine SCHEMBL7802533 | 0.84 | DHODH (0.40) | KDM4EALDH1A1SMN1; SMN2HTTDHODH | |
| Ornithine SCHEMBL7793059 | 0.84 | DPP8 (0.42) | KDM4EALDH1A1SMN1; SMN2HTTDHODH |
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-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |