SCHEMBL3391038

SCHEMBL3391038

O=C(O)OC1CCCCN1C(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)c(F)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
TNF P01375 1/20 0.43
NR2F2 P24468 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
KLF5 Q13887 1/20 0.43
NOD1 Q9Y239 1/20 0.43
MAPK1 P28482 1/20 0.42
CSGALNACT1 Q8TDX6 1/20 0.41
CLK1 P49759 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41

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
SCHEMBL1761316 0.88 DGAT1 (0.67) DGAT1SMN1; SMN2LMNAGAAMAPT
SCHEMBL1761558 0.85 DGAT1 (0.68) DGAT1SMN1; SMN2LMNAGAAMAPT
Bicarbonate SCHEMBL2311510 0.80 DGAT1 (0.77) DGAT1SMN1; SMN2LMNAGAAMAPT
Bicarbonate SCHEMBL3391760 0.79 DGAT1 (0.70) DGAT1SMN1; SMN2LMNAGAAMAPT
SCHEMBL1761436 0.78 DGAT1 (0.71) DGAT1SMN1; SMN2LMNAGAAMAPT
SCHEMBL1761334 0.77 DGAT1 (0.61) DGAT1SMN1; SMN2LMNAGAAMAPT
SCHEMBL29434870 0.77 DGAT1 (1.00) DGAT1SMN1; SMN2LMNAGAAMAPT
SCHEMBL1747916 0.77 DGAT1 (1.00) DGAT1SMN1; SMN2LMNAGAAMAPT
SCHEMBL2311673 0.77 DGAT1 (1.00) DGAT1SMN1; SMN2LMNAGAAMAPT
SCHEMBL2310982 0.77 DGAT1 (1.00) DGAT1SMN1; SMN2LMNAGAAMAPT

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