SCHEMBL4410325

SCHEMBL4410325

CCOc1ccc(NN(CC)C(=O)c2cn(-c3ccccc3OCC(=O)O)nc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.50
AURKA O14965 4/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL4403258 0.92 DGAT1 (0.49) DGAT1AURKAMAPTRAB9A
SCHEMBL4410327 0.89 DGAT1 (0.57) DGAT1
SCHEMBL4410322 0.83 DGAT1 (0.65) DGAT1
SCHEMBL4403262 0.81 DGAT1 (0.55) DGAT1RAB9A
SCHEMBL4296532 0.81 DGAT1 (0.76) DGAT1
SCHEMBL4403257 0.75 DGAT1 (0.63) DGAT1
SCHEMBL4291947 0.73 DGAT1 (0.74) DGAT1
SCHEMBL4289819 0.72 DGAT1 (0.75) DGAT1
SCHEMBL4414545 0.71 DGAT1 (0.69) DGAT1
SCHEMBL4289322 0.70 DGAT1 (0.73) DGAT1

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-2044055-A2 AMIDE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-08 EP disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed