SCHEMBL28689779

SCHEMBL28689779

O=C1C(I)=C(C2CNCCO2)C(=O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.40
HTR1A P08908 1/20 0.38

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1243097 0.80 DRD2 (0.41) DRD2HTR2ADRD3
SCHEMBL28455710 0.75
SCHEMBL28461089 0.75 DRD2 (0.37) DRD2DRD3HTR1A
SCHEMBL27904261 0.74 DRD2 (0.54) DRD2DRD3HTR1A
SCHEMBL28442589 0.74 DRD2 (0.43) DRD2HTR2ADRD3
SCHEMBL27904263 0.73 DRD2 (0.43) DRD2HTR2ADRD3HTR1A
SCHEMBL28461162 0.73 MAPT (0.36) DRD2HTR2ADRD3HTR1A
SCHEMBL28455025 0.72 MAPT (0.36) DRD2HTR2ADRD3HTR1A
SCHEMBL28455531 0.72
SCHEMBL28476229 0.69 DRD2 (0.40) DRD2HTR2ADRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372298-B Preparation method of 2-iodine-3-amino naphthoquinone compound 温州医科大学 2022-04-19 CN disclosed
CN-113372298-A Preparation method of 2-iodine-3-amino naphthoquinone compound 温州医科大学 2021-09-10 CN disclosed