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 | |
|---|---|---|---|---|
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 7/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
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 SCHEMBL7802252 | 0.90 | CASP6 (0.57) | CASP6RAB9APOLBTDP1KMT2A | |
| Cyclohexylamine SCHEMBL8025520 | 0.88 | CASP6 (0.44) | CASP6RAB9APOLBTDP1KMT2A | |
| Cyclohexylamine SCHEMBL8025516 | 0.88 | CASP6 (0.44) | CASP6RAB9APOLBTDP1KMT2A | |
| Glycine SCHEMBL8217195 | 0.87 | KMT2A (0.56) | CASP6RAB9APOLBTDP1KMT2A | |
| Lysine SCHEMBL8035753 | 0.83 | GRM8 (0.41) | CASP6RAB9APOLBTDP1KMT2A | |
| Lysine SCHEMBL8035750 | 0.83 | GRM8 (0.41) | CASP6RAB9APOLBTDP1KMT2A | |
| Cyclohexylamine SCHEMBL7798067 | 0.80 | L3MBTL1 (0.41) | POLBTDP1KMT2AL3MBTL1LMNA | |
| Aes-103 SCHEMBL8041166 | 0.79 | ALDH1A1 (0.56) | POLBTDP1L3MBTL1LMNAALDH1A1 | |
| Cyclohexylamine SCHEMBL7800696 | 0.77 | ALDH1A1 (0.43) | POLBKMT2AL3MBTL1ALDH1A1KDM4E | |
| Oxalic Acid SCHEMBL28835365 | 0.76 | KMT2A (0.63) | CASP6RAB9APOLBTDP1KMT2A |
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 |