SCHEMBL4145633

SCHEMBL4145633

CC(=O)ON(C(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)cc1)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.44
CSGALNACT1 Q8TDX6 1/20 0.44
DYRK2 Q92630 1/20 0.42
USP30 Q70CQ3 1/20 0.42
GPR119 Q8TDV5 10/20 0.41
L3MBTL1 Q9Y468 1/20 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
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 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
SMN1; SMN2 Q16637 1/20 0.40
NOD1 Q9Y239 1/20 0.40

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
SCHEMBL4145628 0.87 DGAT1 (0.45) DGAT1CSGALNACT1DYRK2USP30GPR119
SCHEMBL3391083 0.85 DGAT1 (0.52) DGAT1CSGALNACT1KDM4EMEN1TNF
SCHEMBL1761696 0.80 DGAT1 (0.56) DGAT1CSGALNACT1DYRK2USP30L3MBTL1
SCHEMBL1761868 0.75 DGAT1 (0.59) DGAT1CSGALNACT1DYRK2KDM4EMEN1
Bicarbonate SCHEMBL3388196 0.73 DGAT1 (0.60) DGAT1CSGALNACT1KDM4EMEN1TNF
SCHEMBL3390923 0.72 DGAT1 (0.54) DGAT1CSGALNACT1KDM4EMEN1TNF
SCHEMBL3391081 0.71 DGAT1 (0.53) DGAT1CSGALNACT1KDM4EMEN1TNF
SCHEMBL1761313 0.71 SMN1; SMN2 (0.77) DGAT1CSGALNACT1KDM4EMEN1TNF
SCHEMBL1762130 0.69 DGAT1 (0.54) DGAT1CSGALNACT1KDM4EMEN1TNF
SCHEMBL12430212 0.68 DGAT1 (0.80) DGAT1CSGALNACT1KDM4EMEN1TNF

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