SCHEMBL5155479

SCHEMBL5155479

CCN(CC)Cc1ccc(CC(NC(=O)CC(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)c2ccc(CN(CC)CC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.57
BDKRB2 P30411 4/20 0.51
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL5151477 0.92 BDKRB1 (0.55) BDKRB1BDKRB2ALDH1A1ATML3MBTL1
SCHEMBL5155431 0.89 BDKRB1 (0.52) BDKRB1BDKRB2ALDH1A1ATML3MBTL1
SCHEMBL5155536 0.86 BDKRB1 (0.59) BDKRB1BDKRB2
SCHEMBL5150949 0.84 BDKRB1 (0.54) BDKRB1BDKRB2ALDH1A1ATML3MBTL1
SCHEMBL5155469 0.84 BDKRB1 (0.56) BDKRB1BDKRB2ALDH1A1ATML3MBTL1
SCHEMBL5171190 0.83 CHRM2 (0.53) BDKRB1BDKRB2
SCHEMBL5273249 0.82 F2 (0.55) BDKRB1
SCHEMBL5151213 0.81 BDKRB1 (0.51) BDKRB1BDKRB2ALDH1A1ATML3MBTL1
Hydrochloric Acid SCHEMBL5148996 0.81 F2 (0.55) BDKRB1
SCHEMBL5151120 0.79 CHRM2 (0.53) BDKRB1ALDH1A1

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 5 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
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 US 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