SCHEMBL3389756

SCHEMBL3389756

O=C(NOC(=O)C1CC1)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)c(F)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.64
GAA P10253 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TNF P01375 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
MCL1 Q07820 2/20 0.48
NOD1 Q9Y239 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NR2F2 P24468 1/20 0.48
KLF5 Q13887 1/20 0.48
CSGALNACT1 Q8TDX6 1/20 0.47
LRRK2 Q5S007 3/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL3389816 0.97 DGAT1 (0.64) DGAT1GAAMAPTHPGDSMN1; SMN2
SCHEMBL3391055 0.89 DGAT1 (0.59) DGAT1GAAMAPTHPGDSMN1; SMN2
SCHEMBL3392224 0.86 DGAT1 (0.57) DGAT1GAAMAPTHPGDSMN1; SMN2
SCHEMBL3392095 0.85 DGAT1 (0.56) DGAT1GAAMAPTHPGDSMN1; SMN2
Bicarbonate SCHEMBL3386226 0.83 DGAT1 (0.69) DGAT1GAAMAPTHPGDSMN1; SMN2
SCHEMBL3388733 0.82 DGAT1 (0.67) DGAT1GAAMAPTHPGDSMN1; SMN2
SCHEMBL3388727 0.82 DGAT1 (0.67) DGAT1GAAMAPTHPGDSMN1; SMN2
Bicarbonate SCHEMBL3391760 0.81 DGAT1 (0.70) DGAT1GAAMAPTHPGDSMN1; SMN2
Bicarbonate SCHEMBL2311510 0.81 DGAT1 (0.77) DGAT1GAAMAPTHPGDSMN1; SMN2
SCHEMBL1761436 0.81 DGAT1 (0.71) DGAT1GAAMAPTHPGDSMN1; SMN2

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