SCHEMBL3391055

SCHEMBL3391055

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.59
CSGALNACT1 Q8TDX6 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 5/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 3/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
TNF P01375 1/20 0.51
NR2F2 P24468 1/20 0.51
MCL1 Q07820 1/20 0.51
KLF5 Q13887 1/20 0.51
NOD1 Q9Y239 1/20 0.51
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
LRRK2 Q5S007 3/20 0.48
ALDH1A1 P00352 2/20 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
SCHEMBL3392224 0.96 DGAT1 (0.57) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL3392095 0.95 DGAT1 (0.56) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL3389756 0.89 DGAT1 (0.64) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL3389816 0.86 DGAT1 (0.64) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL3390923 0.83 DGAT1 (0.54) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
Bicarbonate SCHEMBL3390988 0.82 DGAT1 (0.65) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL3387754 0.81 DGAT1 (0.66) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
SCHEMBL3387751 0.81 DGAT1 (0.65) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
Bicarbonate SCHEMBL3392042 0.80 DGAT1 (0.62) DGAT1CSGALNACT1SMN1; SMN2MAPTHPGD
Bicarbonate SCHEMBL2307791 0.80 DGAT1 (0.61) 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 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