SCHEMBL4908295

SCHEMBL4908295

CCN(NC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)C(=O)C1CCN(C(=O)O)CC1C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.44
NTRK1 P04629 1/20 0.35
KDM5B Q9UGL1 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
SCHEMBL440362 0.91 DGAT1 (0.43) DGAT1
SCHEMBL441095 0.82 DGAT1 (0.54) DGAT1
SCHEMBL438968 0.82 USP30 (0.44) DGAT1
SCHEMBL438606 0.81 DGAT1 (0.45) DGAT1
SCHEMBL4910838 0.79 DGAT1 (0.56) DGAT1
SCHEMBL4918439 0.79 DGAT1 (0.45) DGAT1
SCHEMBL437411 0.79 DGAT1 (0.49) DGAT1NTRK1
SCHEMBL440132 0.77 DGAT1 (0.42) DGAT1
SCHEMBL440674 0.76 DGAT1 (0.44) DGAT1NTRK1
SCHEMBL439873 0.76 DGAT1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed