SCHEMBL9063452

SCHEMBL9063452

NCC1c2ccccc2COc2ccc(Br)cc21

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.61
HTR2C P28335 3/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
HRH1 P35367 2/20 0.50
RET P07949 1/20 0.50
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
TBXA2R P21731 1/20 0.39

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
SCHEMBL22049110 0.83 HTR2A (0.61) HTR2AHTR2CSLC6A2SLC6A4HRH1
SCHEMBL21996453 0.83 HTR2A (0.61) HTR2AHTR2CSLC6A2SLC6A4HRH1
SCHEMBL8617506 0.82 TBXA2R (0.46) HTR2AHTR2CSLC6A2SLC6A4DRD2
SCHEMBL9063943 0.79 TBXA2R (0.41) HTR2AHTR2CSLC6A2SLC6A4HRH1
SCHEMBL7509159 0.79 TBXA2R (0.41) HTR2AHTR2CSLC6A2SLC6A4HRH1
SCHEMBL7520603 0.74 DRD2 (0.39) HTR2AHTR2CSLC6A2SLC6A4HRH1
SCHEMBL6938853 0.73 TBXA2R (0.45) DRD2DRD3TBXA2R
SCHEMBL9062919 0.71 TBXA2R (0.36) HTR2AHTR2CSLC6A2SLC6A4DRD2
SCHEMBL11611762 0.71 HTR2A (0.64) HTR2AHTR2CHRH1RETTBXA2R
SCHEMBL8798181 0.70 TBXA2R (0.36) HTR2AHTR2CSLC6A2SLC6A4HRH1

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-0742208-A1 2-Ureido-benzamide derivatives GRELAN PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 EP disclosed