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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPEP1 | P16444 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 5/20 | 0.34 |
| ▸ | MAOA | P21397 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 SCHEMBL7798833 | 0.89 | ALDH1A1 (0.38) | DPEP1NPC1RAB9ATDP1HDAC3 | |
| Cyclohexylamine SCHEMBL8035555 | 0.89 | DPEP1 (0.47) | DPEP1NPC1RAB9ATDP1IDO1 | |
| Cyclohexylamine SCHEMBL8035558 | 0.89 | DPEP1 (0.47) | DPEP1NPC1RAB9ATDP1IDO1 | |
| Cyclohexylamine SCHEMBL7802678 | 0.82 | CYP1A2 (0.42) | DPEP1NPC1RAB9AHDAC3HDAC1 | |
| Cyclohexylamine SCHEMBL7792125 | 0.82 | CACNA1B (0.41) | DPEP1NPC1RAB9AALDH1A1SMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7800101 | 0.80 | ALDH1A1 (0.42) | RAB9ATDP1ALDH1A1KDM4ETSHR | |
| Cyclohexylamine SCHEMBL7798152 | 0.80 | ALDH1A1 (0.51) | TDP1MAOBMAOAALDH1A1MEN1 | |
| Cyclohexylamine SCHEMBL7792713 | 0.80 | TP53 (0.44) | NPC1RAB9AMAOBMAOASMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7793179 | 0.79 | ALDH1A1 (0.50) | DPEP1ALDH1A1MEN1KMT2AALDH1A3 | |
| 4-Hydroxybenzaldehyde SCHEMBL7798048 | 0.78 | ALDH5A1 (0.47) | NPC1RAB9AMAOBALDH1A1MEN1 |
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 |