SCHEMBL4956682

SCHEMBL4956682

NC(=O)C1CCNCC1CCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.51
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39

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
Hydrochloric Acid SCHEMBL437431 0.82 DGAT1 (0.54) DGAT1
Hydrochloric Acid SCHEMBL441108 0.81 DGAT1 (0.57) DGAT1
SCHEMBL438785 0.80 DGAT1 (0.59) DGAT1
Hydrochloric Acid SCHEMBL442990 0.79 DGAT1 (0.58) DGAT1
SCHEMBL437867 0.79 DGAT1 (0.55) DGAT1
SCHEMBL407255 0.77 DGAT1 (0.67) DGAT1
Hydrochloric Acid SCHEMBL437866 0.76 DGAT1 (0.66) DGAT1
SCHEMBL4910831 0.75 DGAT1 (0.71) DGAT1
SCHEMBL463394 0.75 DGAT1 (0.58) DGAT1
Hydrochloric Acid SCHEMBL462631 0.75 DGAT1 (0.58) 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