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 | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 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 SCHEMBL7792803 | 0.97 | DHODH (0.41) | DHODHKDM4EALDH1A1LMNASMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7792801 | 0.97 | DHODH (0.41) | DHODHKDM4EALDH1A1LMNASMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7802533 | 0.96 | DHODH (0.40) | DHODHKDM4EALDH1A1LMNASMN1; SMN2 | |
| Ornithine SCHEMBL7800568 | 0.94 | DPP8 (0.41) | DHODHKDM4EALDH1A1LMNASMN1; SMN2 | |
| Lysine SCHEMBL7793183 | 0.93 | DPP8 (0.44) | DHODHKDM4EALDH1A1LMNASMN1; SMN2 | |
| Lysine SCHEMBL7802165 | 0.93 | DPP8 (0.44) | DHODHKDM4EALDH1A1LMNASMN1; SMN2 | |
| Ornithine SCHEMBL7793059 | 0.91 | DPP8 (0.42) | DHODHKDM4EALDH1A1LMNASMN1; SMN2 | |
| Ornithine Aketoglutarate SCHEMBL7793056 | 0.91 | DPP8 (0.42) | DHODHKDM4EALDH1A1LMNASMN1; SMN2 | |
| Phenylacetic Acid SCHEMBL7798441 | 0.91 | CCR5 (0.39) | DHODHKDM4EALDH1A1LMNAKMT2A | |
| Phenylacetic Acid SCHEMBL7798438 | 0.91 | CCR5 (0.39) | DHODHKDM4EALDH1A1LMNAKMT2A |
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 |