SCHEMBL6357746

SCHEMBL6357746

N[C@@H](Cc1ccc(Cl)cc1)C(O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.53
PPARG P37231 10/20 0.51
PPARA Q07869 10/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SLC7A5 Q01650 2/20 0.46
LTA4H P09960 1/20 0.46
LAP3 P28838 1/20 0.46
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
GRIK1 P39086 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5812524 1.00 SLC6A4 (0.53) SLC6A4PPARGPPARASLC6A2SLC6A3
SCHEMBL540925 0.87 SLC6A4 (0.52) SLC6A4PPARGPPARASLC6A2SLC6A3
SCHEMBL7962713 0.86 SLC6A2 (0.52) SLC6A4PPARGPPARASLC6A2SLC6A3
SCHEMBL11413099 0.85 SLC7A5 (0.46) SLC7A5LTA4HLAP3ALPIPKM
SCHEMBL11129132 0.85 SLC7A5 (0.65) SLC6A2SLC7A5LTA4HLAP3ALPI
SCHEMBL5812189 0.85 SLC7A5 (0.65) SLC6A2SLC7A5LTA4HLAP3ALPI
SCHEMBL5807631 0.85 SLC7A5 (0.65) SLC6A2SLC7A5LTA4HLAP3ALPI
SCHEMBL7698421 0.85 ALPI (0.62) SLC7A5LTA4HLAP3ALPIPKM
SCHEMBL2029167 0.85 ALPI (0.62) SLC7A5LTA4HLAP3ALPIPKM
SCHEMBL7415433 0.85 ALPI (0.62) SLC7A5LTA4HLAP3ALPIPKM

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-6960575-B2 For use as inhibitors of chymase SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-6713472-B1 2-OXO-1,2,3,4-TETRAHYDROPYRAZINE DERIVATIVES; CHYMASE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-03-30 US disclosed