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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | EED | O75530 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 SCHEMBL7802679 | 0.90 | GSK3B (0.43) | KDM4EPOLBMAPK1ALDH1A1LMNA | |
| Lysine SCHEMBL8041373 | 0.83 | GSR (0.39) | KDM4EPOLBMAPK1ALDH1A1LMNA | |
| Salicyladehyde SCHEMBL7792796 | 0.78 | TRIM24 (0.50) | KDM4EALDH1A1LMNAHPGDCYP3A4 | |
| Piperonal SCHEMBL7800908 | 0.78 | HSD17B10 (0.56) | KDM4EALDH1A1HPGDMAOBTRPM8 | |
| Cyclohexylamine SCHEMBL7802630 | 0.78 | PPARG (0.44) | KDM4EPOLBALDH1A1HPGD | |
| Cyclohexylamine SCHEMBL7802045 | 0.78 | ERN1 (0.39) | ALDH1A1CYP3A4CYP2D6 | |
| Cyclohexylamine SCHEMBL7801529 | 0.77 | NPC1 (0.44) | ALDH1A1LMNAHPGD | |
| Cyclohexylamine SCHEMBL7802530 | 0.77 | MAPT (0.37) | KDM4EALDH1A1LMNAHPGDCYP3A4 | |
| SCHEMBL29706697 | 0.75 | GSK3B (0.54) | KDM4EPOLBMAPK1ALDH1A1LMNA | |
| SCHEMBL161792 | 0.75 | GSK3B (0.54) | KDM4EPOLBMAPK1ALDH1A1LMNA |
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 |