Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Zicronapine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.90 |
| ▸ | DRD1 | P21728 | 2/20 | 0.90 |
| ▸ | HTR1A | P08908 | 1/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.61 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.61 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.61 |
| ▸ | DRD4 | P21917 | 1/20 | 0.61 |
| ▸ | DRD5 | P21918 | 1/20 | 0.61 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.61 |
| ▸ | HTR2A | P28223 | 1/20 | 0.61 |
| ▸ | HTR2C | P28335 | 1/20 | 0.61 |
| ▸ | HTR7 | P34969 | 1/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | HRH1 | P35367 | 1/20 | 0.61 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.61 |
| ▸ | DRD3 | P35462 | 1/20 | 0.61 |
| ▸ | HTR2B | P41595 | 1/20 | 0.61 |
| ▸ | HTR6 | P50406 | 1/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Zicronapine SCHEMBL2069308 | 0.95 | DRD2 (1.00) | DRD2DRD1HTR1AADRA2AADRA2B | |
| Zicronapine SCHEMBL3682563 | 0.95 | DRD2 (1.00) | DRD2DRD1HTR1AADRA2AADRA2B | |
| Zicronapine SCHEMBL3801118 | 0.95 | DRD2 (1.00) | DRD2DRD1HTR1AADRA2AADRA2B | |
| Zicronapine SCHEMBL3801121 | 0.95 | DRD2 (1.00) | DRD2DRD1HTR1AADRA2AADRA2B | |
| Zicronapine SCHEMBL904402 | 0.95 | DRD2 (1.00) | DRD2DRD1HTR1AADRA2AADRA2B | |
| Zicronapine SCHEMBL29364267 | 0.95 | DRD2 (1.00) | DRD2DRD1HTR1AADRA2AADRA2B | |
| Zicronapine SCHEMBL2068746 | 0.95 | DRD2 (1.00) | DRD2DRD1HTR1AADRA2AADRA2B | |
| Zicronapine SCHEMBL6061324 | 0.95 | DRD2 (1.00) | DRD2DRD1HTR1AADRA2AADRA2B | |
| Zicronapine SCHEMBL933996 | 0.95 | DRD2 (1.00) | DRD2DRD1HTR1AADRA2AADRA2B | |
| Zicronapine SCHEMBL2069000 | 0.88 | DRD2 (0.86) | DRD2DRD1HTR1AADRA2AADRA2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113056457-A | 4- ((1R,3S) -6-chloro-3-phenyl-2, 3-dihydro-1H-inden-1-yl) -1,2, 2-trimethylpiperazine and 4- ((1R,3S) -6-chloro-3- (phenyl-d)5) -2, 3-dihydro-1H-inden-1-yl) -2, 2-dimethyl-1- (methyl-d3) Prodrugs of piperazine | H.隆德贝克有限公司 | 2021-06-29 | — | — | CN | disclosed |