SCHEMBL3391081

SCHEMBL3391081

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.53
CSGALNACT1 Q8TDX6 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
CLK1 P49759 1/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
TNF P01375 1/20 0.45
LMNA P02545 1/20 0.45
NR2F2 P24468 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.45
KLF5 Q13887 1/20 0.45
NOD1 Q9Y239 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4145628 0.84 DGAT1 (0.45) DGAT1CSGALNACT1SMN1; SMN2NPC1RAB9A
SCHEMBL3391083 0.82 DGAT1 (0.52) DGAT1CSGALNACT1SMN1; SMN2NPC1RAB9A
Bicarbonate SCHEMBL3388196 0.82 DGAT1 (0.60) DGAT1CSGALNACT1SMN1; SMN2NPC1RAB9A
Bicarbonate SCHEMBL2307791 0.80 DGAT1 (0.61) DGAT1CSGALNACT1SMN1; SMN2NPC1RAB9A
Bicarbonate SCHEMBL3389772 0.79 DGAT1 (0.61) DGAT1CSGALNACT1SMN1; SMN2NPC1RAB9A
SCHEMBL12430212 0.78 DGAT1 (0.80) DGAT1CSGALNACT1SMN1; SMN2NPC1RAB9A
SCHEMBL2307331 0.78 DGAT1 (0.80) DGAT1CSGALNACT1SMN1; SMN2NPC1RAB9A
SCHEMBL2310427 0.78 DGAT1 (0.80) DGAT1CSGALNACT1SMN1; SMN2NPC1RAB9A
Bicarbonate SCHEMBL3392042 0.78 DGAT1 (0.62) DGAT1CSGALNACT1SMN1; SMN2NPC1RAB9A
SCHEMBL2307788 0.78 DGAT1 (0.80) DGAT1CSGALNACT1SMN1; SMN2NPC1RAB9A

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