SCHEMBL3391083

SCHEMBL3391083

CC(=O)ON(C(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)cc1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.52
CSGALNACT1 Q8TDX6 1/20 0.52
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
TNF P01375 1/20 0.48
NR2F2 P24468 1/20 0.48
MCL1 Q07820 1/20 0.48
KLF5 Q13887 1/20 0.48
NOD1 Q9Y239 1/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 3/20 0.46
ALPL P05186 1/20 0.46

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
SCHEMBL4145633 0.85 DGAT1 (0.44) DGAT1CSGALNACT1MAPTSMN1; SMN2HPGD
SCHEMBL3391081 0.82 DGAT1 (0.53) DGAT1CSGALNACT1MAPTSMN1; SMN2HPGD
Bicarbonate SCHEMBL3388196 0.81 DGAT1 (0.60) DGAT1CSGALNACT1MAPTSMN1; SMN2HPGD
SCHEMBL3390923 0.80 DGAT1 (0.54) DGAT1CSGALNACT1MAPTSMN1; SMN2HPGD
Bicarbonate SCHEMBL2307791 0.77 DGAT1 (0.61) DGAT1CSGALNACT1MAPTSMN1; SMN2HPGD
Bicarbonate SCHEMBL3389772 0.77 DGAT1 (0.61) DGAT1CSGALNACT1MAPTSMN1; SMN2HPGD
SCHEMBL3392095 0.77 DGAT1 (0.56) DGAT1CSGALNACT1MAPTSMN1; SMN2HPGD
SCHEMBL1761313 0.77 SMN1; SMN2 (0.77) DGAT1CSGALNACT1MAPTSMN1; SMN2HPGD
SCHEMBL2310427 0.76 DGAT1 (0.80) DGAT1CSGALNACT1MAPTSMN1; SMN2HPGD
Bicarbonate SCHEMBL3392042 0.76 DGAT1 (0.62) DGAT1CSGALNACT1MAPTSMN1; SMN2HPGD

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