SCHEMBL174942

SCHEMBL174942

O=C(Nc1ccccc1)Nc1ccc(-c2cnc(CCNS(=O)(=O)CF)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.48
CNR1 P21554 1/20 0.46
NAMPT P43490 4/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
KDR P35968 2/20 0.40
FLT3 P36888 2/20 0.40
AURKA O14965 1/20 0.40
KIT P10721 1/20 0.40
ACP1 P24666 1/20 0.39
ALOX5 P09917 1/20 0.39
EPHX2 P34913 1/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL176236 0.90 DGAT1 (0.54) DGAT1KDRFLT3KIT
SCHEMBL175408 0.89 DGAT1 (0.48) DGAT1CNR1NAMPTERCC5FEN1
SCHEMBL178250 0.89 EPHX2 (0.43) DGAT1NAMPTKDREPHX2
SCHEMBL15021905 0.87 DGAT1 (0.48) DGAT1CNR1NAMPTERCC5FEN1
SCHEMBL178101 0.80 DGAT1 (0.42) DGAT1ERCC5FEN1KDR
SCHEMBL178104 0.80 DGAT1 (0.42) DGAT1ERCC5FEN1KDR
SCHEMBL176338 0.80 DGAT1 (0.53) DGAT1CNR1KDRFLT3KIT
SCHEMBL174941 0.79 DGAT1 (0.46) DGAT1CNR1NAMPTERCC5FEN1
SCHEMBL178117 0.78 EPHX2 (0.45) DGAT1NAMPTKDRFLT3EPHX2
SCHEMBL15021930 0.78 DGAT1 (0.47) DGAT1CNR1NAMPTERCC5FEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed