SCHEMBL4145628

SCHEMBL4145628

CC(C)(C)OC(=O)N1CCCC(N(CC(=O)O)C(=O)c2ccc(-c3ccc(Nc4nc5ccc(F)cc5s4)cc3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.45
CSGALNACT1 Q8TDX6 1/20 0.45
USP30 Q70CQ3 3/20 0.43
DYRK2 Q92630 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TNF P01375 1/20 0.40
LMNA P02545 1/20 0.40
NR2F2 P24468 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
KLF5 Q13887 1/20 0.40
NOD1 Q9Y239 1/20 0.40
BACE1 P56817 1/20 0.39

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
SCHEMBL4145633 0.87 DGAT1 (0.44) DGAT1CSGALNACT1USP30DYRK2L3MBTL1
SCHEMBL3391081 0.84 DGAT1 (0.53) DGAT1CSGALNACT1MAPTSMN1; SMN2GAA
SCHEMBL1761696 0.80 DGAT1 (0.56) DGAT1CSGALNACT1USP30DYRK2L3MBTL1
SCHEMBL1761868 0.76 DGAT1 (0.59) DGAT1CSGALNACT1DYRK2MAPTSMN1; SMN2
Bicarbonate SCHEMBL3388196 0.74 DGAT1 (0.60) DGAT1CSGALNACT1MAPTSMN1; SMN2GAA
SCHEMBL3391083 0.73 DGAT1 (0.52) DGAT1CSGALNACT1MAPTSMN1; SMN2GAA
SCHEMBL1761313 0.70 SMN1; SMN2 (0.77) DGAT1CSGALNACT1MAPTSMN1; SMN2GAA
SCHEMBL3390923 0.70 DGAT1 (0.54) DGAT1CSGALNACT1MAPTSMN1; SMN2GAA
SCHEMBL1762130 0.70 DGAT1 (0.54) DGAT1CSGALNACT1MAPTSMN1; SMN2GAA
SCHEMBL12430212 0.69 DGAT1 (0.80) DGAT1CSGALNACT1MAPTSMN1; SMN2GAA

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-1805156-A4 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORP (US) 2009-06-10 EP claimed
EP-1805156-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2007-07-11 EP claimed
WO-2006044775-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO claimed