SCHEMBL3389816

SCHEMBL3389816

O=C(NOC(=O)C1CCCC1)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
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TNF P01375 1/20 0.46
LMNA P02545 1/20 0.46
NR2F2 P24468 1/20 0.46
HTT P42858 1/20 0.46
MCL1 Q07820 1/20 0.46
KLF5 Q13887 1/20 0.46
NOD1 Q9Y239 1/20 0.46
CSGALNACT1 Q8TDX6 1/20 0.46
LRRK2 Q5S007 3/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL3389756 0.97 DGAT1 (0.64) DGAT1SMN1; SMN2GAAMAPTHPGD
SCHEMBL3392224 0.90 DGAT1 (0.57) DGAT1SMN1; SMN2GAAMAPTHPGD
SCHEMBL3392095 0.89 DGAT1 (0.56) DGAT1SMN1; SMN2GAAMAPTHPGD
SCHEMBL3391055 0.86 DGAT1 (0.59) DGAT1SMN1; SMN2GAAMAPTHPGD
Bicarbonate SCHEMBL2311510 0.85 DGAT1 (0.77) DGAT1SMN1; SMN2GAAMAPTHPGD
Bicarbonate SCHEMBL3391760 0.83 DGAT1 (0.70) DGAT1SMN1; SMN2GAAMAPTHPGD
Bicarbonate SCHEMBL3386226 0.81 DGAT1 (0.69) DGAT1SMN1; SMN2GAAMAPTHPGD
SCHEMBL3388733 0.81 DGAT1 (0.67) DGAT1SMN1; SMN2GAAMAPTHPGD
SCHEMBL3388727 0.81 DGAT1 (0.67) DGAT1SMN1; SMN2GAAMAPTHPGD
SCHEMBL1761436 0.80 DGAT1 (0.71) DGAT1SMN1; SMN2GAAMAPTHPGD

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 1 patent. 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