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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 4/20 | 0.33 |
| ▸ | PPARA | Q07869 | 4/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 SCHEMBL7801529 | 0.90 | NPC1 (0.44) | ERN1NPC1MAPTRAB9ASMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7798543 | 0.89 | ERN1 (0.43) | ERN1NPC1MAPTRAB9ASMN1; SMN2 | |
| Cyclohexylamine SCHEMBL8035662 | 0.88 | EPHX2 (0.36) | ERN1NPC1MAPTRAB9ASMN1; SMN2 | |
| Glycine SCHEMBL8206251 | 0.86 | ERN1 (0.50) | ERN1 | |
| Cyclohexylamine SCHEMBL7802934 | 0.85 | ALDH1A1 (0.36) | NPC1MAPTRAB9ASMN1; SMN2ALDH1A1 | |
| Cyclohexylamine SCHEMBL7798411 | 0.82 | RAB9A (0.38) | NPC1MAPTRAB9ASMN1; SMN2ALDH1A1 | |
| Salicyladehyde SCHEMBL7792796 | 0.80 | TRIM24 (0.50) | ERN1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| Cyclohexylamine SCHEMBL7802630 | 0.80 | PPARG (0.44) | ALDH1A1EPHX1PPARGPPARA | |
| Cyclohexylamine SCHEMBL7802530 | 0.79 | MAPT (0.37) | NPC1MAPTRAB9ASMN1; SMN2ALDH1A1 | |
| Cyclohexylamine SCHEMBL7800918 | 0.78 | KDM4E (0.40) | ALDH1A1CYP3A4CYP2D6 |
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 |