Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 SCHEMBL11648185 | 0.92 | THRB (0.44) | — | |
| Cyclohexylamine SCHEMBL28087254 | 0.92 | THRB (0.44) | — | |
| Hydrochloric Acid SCHEMBL27709574 | 0.92 | THRB (0.44) | — | |
| Cyclohexylamine SCHEMBL28744222 | 0.92 | THRB (0.44) | — | |
| SCHEMBL24893550 | 0.92 | THRB (0.50) | — | |
| SCHEMBL20858602 | 0.92 | THRB (0.50) | — | |
| SCHEMBL20830445 | 0.92 | THRB (0.50) | — | |
| SCHEMBL23379889 | 0.92 | THRB (0.50) | — | |
| SCHEMBL21416372 | 0.92 | THRB (0.50) | — | |
| SCHEMBL20726193 | 0.92 | THRB (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1175381-B1 | CONTINUOUS PROCESS FOR PREPARING HALOGENATED COMPOUNDS | ALLIED SIGNAL INC (US) | 2007-03-14 | — | — | EP | disclosed |
| US-7102041-B2 | Continuous process for preparing halogenated compounds | HONEYWELL INTERNATIONAL INC. (US) | 2006-09-05 | — | — | US | disclosed |
| US-20060122441-A1 | Continuous process for preparing halogenated compounds | HONEYWELL INTERNATIONAL INC. | 2006-06-08 | — | — | US | disclosed |
| EP-1175381-A1 | CONTINUOUS PROCESS FOR PREPARING HALOGENATED COMPOUNDS | AlliedSignal Inc. (US) | 2002-01-30 | — | — | EP | disclosed |
| US-6187978-B1 | ADDITION REACTION OF HALOALKENE, NITRILES, AMIDES, PHOSPHATES OR AMINES AND HALOAKANES | ALLIEDSIGNAL INC. | 2001-02-13 | — | — | US | disclosed |
| WO-2000068172-A1 | CONTINUOUS PROCESS FOR PREPARING HALOGENATED COMPOUNDS | ALLIEDSIGNAL INC. (US) | 2000-11-16 | — | — | WO | disclosed |