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 | |
|---|---|---|---|---|
| ▸ | GRN | P28799 | 1/20 | 0.36 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.34 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
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 SCHEMBL7792836 | 0.88 | MEN1 (0.35) | GRM4MEN1KMT2AEPHX1ALDH1A1 | |
| Cyclohexylamine SCHEMBL7793179 | 0.82 | ALDH1A1 (0.50) | MEN1KMT2AALDH1A1 | |
| Cyclohexylamine SCHEMBL8039023 | 0.81 | ERN1 (0.39) | GRNSORT1MEN1KMT2AALDH1A1 | |
| Benzaldehyde SCHEMBL7798223 | 0.81 | ALDH1A1 (0.44) | MEN1KMT2AALDH1A1PTGDR2EPHX2 | |
| Cyclohexylamine SCHEMBL7802316 | 0.81 | CYP2C9 (0.36) | MEN1KMT2AGAA | |
| Cyclohexylamine SCHEMBL7798833 | 0.80 | ALDH1A1 (0.38) | ALDH1A1PTGDR2FFAR4 | |
| Cyclohexylamine SCHEMBL8041263 | 0.80 | EPHX1 (0.38) | EPHX1PTGDR2CNR1FFAR4 | |
| Cyclohexylamine SCHEMBL7798500 | 0.80 | MEN1 (0.41) | MEN1KMT2AALDH1A1PTGDR2FFAR1 | |
| Cyclohexylamine SCHEMBL7802056 | 0.79 | TDP1 (0.51) | MEN1KMT2AALDH1A1PTGDR2PTGDR | |
| 4-Hydroxybenzaldehyde SCHEMBL7798048 | 0.78 | ALDH5A1 (0.47) | MEN1KMT2AEPHX1ALDH1A1GAA |
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 |