SCHEMBL6567171

SCHEMBL6567171

CCCCOC(=O)N[C@@H](CSc1ccc(Br)cc1N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ATM Q13315 1/20 0.39
ITGB3 P05106 12/20 0.38
ITGA2B P08514 12/20 0.38
AAK1 Q2M2I8 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5969087 0.82 AAK1 (0.52) PRNPNPSR1RXFP1AAK1MAPT
SCHEMBL5728994 0.82 AAK1 (0.52) PRNPNPSR1RXFP1AAK1MAPT
SCHEMBL5729717 0.82 AAK1 (0.52) PRNPNPSR1RXFP1AAK1MAPT
SCHEMBL6568881 0.82 ITGB3 (0.38) ITGB3ITGA2BSLC6A2MAPTNPC1
SCHEMBL15564677 0.79 ALDH1A1 (0.43) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL6567175 0.78 SLC6A4 (0.39) ATMSLC6A2SLC6A4MAPTNPC1
SCHEMBL6567178 0.77 SLC6A4 (0.37) ATMITGB3ITGA2BSLC6A2SLC6A4
SCHEMBL5729874 0.74 GSTP1 (0.52) AAK1MAPTHPGD
SCHEMBL5728927 0.74 GSTP1 (0.52) AAK1MAPTHPGD
SCHEMBL5969038 0.74 GSTP1 (0.52) AAK1MAPTHPGD

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
EP-1434870-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2004-07-07 EP disclosed
WO-2003029477-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 WO disclosed