SCHEMBL3391052

SCHEMBL3391052

CC(C)[C@H](NC(=O)c1ccc(-c2ccc(Nc3nc4ncccc4s3)cc2)cc1)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.50
CSGALNACT1 Q8TDX6 1/20 0.50
PDE10A Q9Y233 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
TNIK Q9UKE5 1/20 0.36
RIPK1 Q13546 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
HPGDS O60760 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1761718 0.89 DGAT1 (0.43) DGAT1CSGALNACT1CYP2C9RIPK1TP53
Trifluoroacetic Acid SCHEMBL3391046 0.88 DGAT1 (0.60) DGAT1CSGALNACT1PDE10A
SCHEMBL3387517 0.86 DGAT1 (0.50) DGAT1CSGALNACT1PDE10ASMN1; SMN2NPC1
SCHEMBL1761824 0.86 DGAT1 (0.64) DGAT1CSGALNACT1PDE10A
SCHEMBL3389661 0.83 DGAT1 (0.54) DGAT1CSGALNACT1PDE10ANPC1CYP2C9
SCHEMBL12648322 0.79 DGAT1 (0.47) DGAT1CSGALNACT1PDE10ASMN1; SMN2NPC1
SCHEMBL1761354 0.79 DGAT1 (0.44) DGAT1CSGALNACT1MAPT
SCHEMBL1761407 0.77 DGAT1 (0.42) DGAT1CSGALNACT1MAPTPOLBTRPV1
Trifluoroacetic Acid SCHEMBL1761714 0.77 DGAT1 (0.51) DGAT1CSGALNACT1
SCHEMBL1761670 0.76 DGAT1 (0.42) DGAT1CSGALNACT1POLBALDH1A1

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