SCHEMBL28699254

SCHEMBL28699254

CCCN(CCCCS(=O)(=O)O)C1Cc2ccccc2C1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 11/20 0.65
▸ DRD2 P14416 7/20 0.60
▸ HTR1A P08908 1/20 0.54
▸ DRD4 P21917 4/20 0.52
▸ DRD1 P21728 2/20 0.52
▸ DRD5 P21918 2/20 0.52
▸ HTR2A P28223 2/20 0.52

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
SCHEMBL8688812 0.81 DRD3 (1.00) DRD3DRD2HTR1A
SCHEMBL28699255 0.80 DRD3 (0.77) DRD3DRD2HTR1A
SCHEMBL29362760 0.79 DRD3 (0.75) DRD3DRD2HTR1A
SCHEMBL4047168 0.77 DRD3 (0.77) DRD3DRD2HTR1A
SCHEMBL16299407 0.74 DRD3 (0.85) DRD3DRD2HTR1A
SCHEMBL8044371 0.73 DRD3 (0.86) DRD3DRD2DRD4DRD1HTR2A
SCHEMBL8044410 0.70 HTR1A (0.78) DRD3DRD2HTR1A
SCHEMBL31558065 0.70 HTR1A (1.00) DRD3DRD2HTR1ADRD4DRD1
SCHEMBL9359278 0.70 HTR1A (1.00) DRD3DRD2HTR1ADRD4DRD1
SCHEMBL9285858 0.69 DRD3 (0.74) DRD3DRD2HTR1A

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-113979915-B Dopamine D 2 Receptor dual ligand compounds and uses 常州大学 2023-07-25 — — CN disclosed
CN-113979915-A Dopamine D2Receptor dibit ligand type compound and application 常州大学 2022-01-28 — — CN disclosed
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