SCHEMBL5151471

SCHEMBL5151471

CCC(N)(CC)c1ccc(CC(NC(=O)CC(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.53
BDKRB2 P30411 1/20 0.49
CA2 P00918 1/20 0.47
F2 P00734 2/20 0.47
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL5155469 0.92 BDKRB1 (0.56) BDKRB1BDKRB2ALDH1A1ATML3MBTL1
SCHEMBL5155532 0.90 BDKRB1 (0.58) BDKRB1BDKRB2F2
SCHEMBL5171173 0.89 CHRM2 (0.51) BDKRB1BDKRB2F2
SCHEMBL5151333 0.86 BDKRB1 (0.39) BDKRB1BDKRB2CA2ALDH1A1ATM
SCHEMBL5151477 0.84 BDKRB1 (0.55) BDKRB1BDKRB2F2ALDH1A1ATM
SCHEMBL5150949 0.84 BDKRB1 (0.54) BDKRB1BDKRB2F2ALDH1A1ATM
SCHEMBL5155432 0.81 BDKRB1 (0.62) BDKRB1BDKRB2F2
Hydrochloric Acid SCHEMBL5151160 0.79 BDKRB1 (0.48) BDKRB1F2
SCHEMBL4697387 0.77 F2 (0.64) BDKRB1BDKRB2F2
Hydrochloric Acid SCHEMBL5150900 0.77 BDKRB1 (0.60) BDKRB1BDKRB2F2

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
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