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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
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 SCHEMBL7802045 | 0.90 | ERN1 (0.39) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| Cyclohexylamine SCHEMBL7798049 | 0.89 | MAPT (0.46) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| Cyclohexylamine SCHEMBL8036007 | 0.86 | NPC1 (0.40) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| Cyclohexylamine SCHEMBL8036004 | 0.86 | NPC1 (0.40) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| Cyclohexylamine SCHEMBL7802934 | 0.85 | ALDH1A1 (0.36) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| Salicyladehyde SCHEMBL7792796 | 0.85 | TRIM24 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| Cyclohexylamine SCHEMBL7802530 | 0.84 | MAPT (0.37) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| Cyclohexylamine SCHEMBL8035662 | 0.83 | EPHX2 (0.36) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| Lysine SCHEMBL8035194 | 0.82 | GSR (0.43) | NPC1RAB9AMAPTSMN1; SMN2KMT2A | |
| Lysine SCHEMBL8035193 | 0.82 | GSR (0.43) | NPC1RAB9AMAPTSMN1; SMN2KMT2A |
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 |