SCHEMBL5230548

SCHEMBL5230548

CCCCNCc1ccc(CC(NC(=O)CC(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)C(=O)N2CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.57
BDKRB2 P30411 1/20 0.57
PLG P00747 2/20 0.49
PLAU P00749 1/20 0.49
F10 P00742 1/20 0.49
F2 P00734 3/20 0.48
HPN P05981 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48

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
Hydrochloric Acid SCHEMBL5150928 0.99 BDKRB1 (0.56) BDKRB1BDKRB2PLGPLAUF10
SCHEMBL5231459 0.93 BDKRB1 (0.60) BDKRB1BDKRB2PLGPLAUF10
Hydrochloric Acid SCHEMBL5149020 0.92 BDKRB1 (0.59) BDKRB1BDKRB2PLGPLAUF10
SCHEMBL5232167 0.88 BDKRB1 (0.56) BDKRB1BDKRB2PLGPLAUF10
Hydrochloric Acid SCHEMBL5149072 0.87 BDKRB1 (0.55) BDKRB1BDKRB2PLGPLAUF10
SCHEMBL5171843 0.87 BDKRB1 (0.62) BDKRB1BDKRB2PLGPLAUF10
SCHEMBL5150917 0.87 BDKRB1 (0.60) BDKRB1BDKRB2PLGPLAUF10
Hydrochloric Acid SCHEMBL5150908 0.87 BDKRB1 (0.58) BDKRB1BDKRB2PLGPLAUF10
Hydrochloric Acid SCHEMBL5149069 0.86 BDKRB1 (0.55) BDKRB1BDKRB2PLGPLAUF10
SCHEMBL5155814 0.86 BDKRB1 (0.63) BDKRB1BDKRB2PLGPLAUF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 EP disclosed
EP-1373233-A1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-01-02 EP disclosed
WO-2002076964-A1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-10-03 WO disclosed