SCHEMBL13006286

SCHEMBL13006286

COc1cc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)ccc1C(=O)NC(C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.62
CSGALNACT1 Q8TDX6 1/20 0.62
HCRTR1 O43613 8/20 0.48
HCRTR2 O43614 6/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
MCL1 Q07820 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TNF P01375 1/20 0.47
GAA P10253 1/20 0.47
NR2F2 P24468 1/20 0.47
HTT P42858 1/20 0.47
KLF5 Q13887 1/20 0.47
NOD1 Q9Y239 1/20 0.47

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
SCHEMBL1761444 0.92 DGAT1 (0.75) DGAT1CSGALNACT1HCRTR1HCRTR2MAPT
SCHEMBL1761564 0.89 DGAT1 (0.57) DGAT1CSGALNACT1HCRTR1HCRTR2MAPT
SCHEMBL1761348 0.88 DGAT1 (0.65) DGAT1CSGALNACT1HCRTR1HCRTR2MAPT
SCHEMBL1761358 0.87 DGAT1 (0.57) DGAT1CSGALNACT1HCRTR1HCRTR2MAPT
SCHEMBL1761508 0.86 DGAT1 (0.54) DGAT1CSGALNACT1HCRTR1HCRTR2MAPT
SCHEMBL1761653 0.85 DGAT1 (0.82) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761597 0.85 MAPT (0.59) DGAT1CSGALNACT1HCRTR1HCRTR2MAPT
SCHEMBL1761446 0.84 DGAT1 (0.53) DGAT1CSGALNACT1HCRTR1HCRTR2MAPT
SCHEMBL1761306 0.83 DGAT1 (0.58) DGAT1CSGALNACT1HCRTR1HCRTR2MAPT
SCHEMBL1761521 0.82 DGAT1 (0.61) DGAT1CSGALNACT1HCRTR1HCRTR2MAPT

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 disclosed