SCHEMBL5151333

SCHEMBL5151333

CCC(N)(CC)c1ccc(CC(NC(=O)CC(NS(=O)(=O)c2ccc3ccccc3n2)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.39
CA2 P00918 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.37
ACE P12821 4/20 0.36
BDKRB2 P30411 1/20 0.36
ECE1 P42892 1/20 0.35
EEF2K O00418 1/20 0.35
MME P08473 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
TACR3 P29371 2/20 0.35

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 SCHEMBL5151201 0.90 BDKRB1 (0.43) BDKRB1BDKRB2
SCHEMBL5151471 0.86 BDKRB1 (0.53) BDKRB1CA2ALDH1A1ATML3MBTL1
SCHEMBL5151340 0.85 LMNA (0.41) BDKRB1ALDH1A1ATML3MBTL1ACE
SCHEMBL5155469 0.78 BDKRB1 (0.56) BDKRB1ALDH1A1ATML3MBTL1BDKRB2
SCHEMBL5155864 0.78 TP53 (0.39) BDKRB1ALDH1A1ATML3MBTL1BDKRB2
SCHEMBL5155532 0.77 BDKRB1 (0.58) BDKRB1BDKRB2
Hydrochloric Acid SCHEMBL5151207 0.76 BDKRB1 (0.44) BDKRB1BDKRB2
SCHEMBL5171173 0.76 CHRM2 (0.51) BDKRB1BDKRB2
SCHEMBL5155879 0.73 EEF2K (0.53) ALDH1A1ATML3MBTL1EEF2K
SCHEMBL5151477 0.71 BDKRB1 (0.55) BDKRB1ALDH1A1ATML3MBTL1BDKRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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