SCHEMBL29324541

SCHEMBL29324541

O=C1c2ccccc2CCCN1CCCCBr

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 15/20 0.61
DRD1 P21728 9/20 0.61
DRD2 P14416 7/20 0.61
HTR2A P28223 5/20 0.57
DRD4 P21917 1/20 0.57
HTR7 P34969 4/20 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
SCHEMBL5386472 0.91 DRD3 (0.60) DRD3DRD1DRD2DRD4
SCHEMBL9377321 0.86 DRD3 (0.65) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL9376682 0.82 DRD2 (0.60) DRD3DRD2HTR7
SCHEMBL38653591 0.81 DRD3 (0.55) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL9375915 0.81 HTR7 (0.61) DRD3DRD2HTR7
SCHEMBL9376168 0.81 HTR7 (0.61) DRD3DRD2HTR7
SCHEMBL19852195 0.78 DRD3 (0.56) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL29322833 0.77 DRD3 (0.51) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL1039709 0.77 DRD3 (0.63) DRD3DRD1DRD2DRD4
SCHEMBL9025470 0.77 HRH1 (0.52) DRD3DRD2DRD4HTR7

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400504-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Center for Excellence in Molecular Cell Science, Chinese Academy of Sciences (CN) 2024-07-17 EP disclosed