SCHEMBL3390923

SCHEMBL3390923

CN(OC(=O)C1CC1)C(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.54
CSGALNACT1 Q8TDX6 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.51
MAPT P10636 6/20 0.51
HPGD P15428 4/20 0.51
LMNA P02545 4/20 0.51
GAA P10253 3/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 3/20 0.51
TNF P01375 2/20 0.51
MCL1 Q07820 2/20 0.51
NOD1 Q9Y239 2/20 0.51
NR2F2 P24468 1/20 0.51
KLF5 Q13887 1/20 0.51
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 3/20 0.48
ALPL P05186 1/20 0.48

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
Bicarbonate SCHEMBL3388196 0.83 DGAT1 (0.60) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL3391055 0.83 DGAT1 (0.59) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL3391083 0.80 DGAT1 (0.52) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL3392224 0.79 DGAT1 (0.57) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL3392095 0.79 DGAT1 (0.56) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL1761313 0.79 SMN1; SMN2 (0.77) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL1761493 0.78 DGAT1 (0.61) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
Bicarbonate SCHEMBL2307791 0.78 DGAT1 (0.61) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL3128570 0.77 DGAT1 (0.69) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL3387754 0.77 DGAT1 (0.66) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP claimed
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