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 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
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 SCHEMBL7803013 | 0.90 | NPC1 (0.43) | KDM4ELMNANPC1RAB9AALOX5 | |
| Cyclohexylamine SCHEMBL8035113 | 0.83 | KMT2A (0.44) | KDM4ELMNANPC1RAB9AMAPT | |
| Cyclohexylamine SCHEMBL8039390 | 0.79 | TSHR (0.36) | KDM4ENPC1RAB9ACYP2C19SMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7802055 | 0.79 | RAB9A (0.53) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| 2-Pyridinecarboxaldehyde SCHEMBL8039124 | 0.79 | HPGD (0.40) | KDM4ELMNANPC1RAB9AMAPT | |
| 2-Naphthaldehyde SCHEMBL7797967 | 0.78 | GRIK1 (0.39) | LMNARAB9AHTTHCAR2 | |
| Benzaldehyde SCHEMBL7798223 | 0.77 | ALDH1A1 (0.44) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| Cyclohexylamine SCHEMBL7802630 | 0.75 | PPARG (0.44) | KDM4EALDH1A1POLB | |
| Cyclohexylamine SCHEMBL7802530 | 0.74 | MAPT (0.37) | KDM4ELMNANPC1RAB9AMAPT | |
| Cyclohexylamine SCHEMBL7803111 | 0.74 | CAMKK1 (0.39) | LMNANPC1RAB9AMAPTCYP1A2 |
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 |