SCHEMBL4627356

SCHEMBL4627356

O=S(=O)(c1ccccc1C#CCCOCCCCCCBr)C1CCCC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4628323 0.80 ADAM17 (0.36) HTR2AKCNH2
SCHEMBL4628637 0.78 ADRB2 (0.38) DRD2HTR2AHTR2CKCNH2
SCHEMBL4824727 0.78 ADRB2 (0.38) DRD2HTR2AHTR2CKCNH2
SCHEMBL4628643 0.68 ADRB2 (0.54) DRD2HTR2AHTR2CKCNH2
SCHEMBL5183995 0.67 HRH3 (0.31)
SCHEMBL8402417 0.66 COMT (0.38) ALOX5APFEN1DRD2HTR2AHTR2C
SCHEMBL5455607 0.66 KDM4E (0.47)
SCHEMBL4802684 0.64 CA1 (0.48)
SCHEMBL1016972 0.64 CTSB (0.42) ALOX5APFEN1HTR2A
SCHEMBL9586368 0.62 CA2 (0.51)

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-1556342-B1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-03-26 EP disclosed