SCHEMBL3389661

SCHEMBL3389661

CC(C)[C@H](NC(=O)c1ccc(-c2ccc(Nc3nc4cnccc4s3)cc2)cc1)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.54
CSGALNACT1 Q8TDX6 1/20 0.54
CYP26A1 O43174 1/20 0.36
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
PDE10A Q9Y233 1/20 0.36
MPL P40238 2/20 0.35
NEK3 P51956 1/20 0.34
LIMK1 P53667 1/20 0.34
NEK5 Q6P3R8 1/20 0.34
MYLK4 Q86YV6 1/20 0.34
STK17A Q9UEE5 1/20 0.34
SCD O00767 1/20 0.34
CYP2C9 P11712 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1761437 0.89 DGAT1 (0.46) DGAT1CSGALNACT1CYP2C9
Trifluoroacetic Acid SCHEMBL3389655 0.88 DGAT1 (0.65) DGAT1CSGALNACT1SCD
SCHEMBL1762011 0.86 DGAT1 (0.69) DGAT1CSGALNACT1SCDNPC1RAB9A
SCHEMBL3387517 0.83 DGAT1 (0.50) DGAT1CSGALNACT1PDE10ACYP2C9NPC1
SCHEMBL3391052 0.83 DGAT1 (0.50) DGAT1CSGALNACT1PDE10ACYP2C9NPC1
SCHEMBL12648321 0.79 DGAT1 (0.51) DGAT1CSGALNACT1RAF1BRAFPDE10A
Trifluoroacetic Acid SCHEMBL1761434 0.77 DGAT1 (0.55) DGAT1CSGALNACT1
SCHEMBL1762153 0.75 DGAT1 (0.59) DGAT1CSGALNACT1SCD
SCHEMBL1761354 0.74 DGAT1 (0.44) DGAT1CSGALNACT1MPL
SCHEMBL1761469 0.74 DGAT1 (0.42) DGAT1CSGALNACT1

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