SCHEMBL4918435

SCHEMBL4918435

O=C(O)NC1CCN(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 17/20 0.56
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL441132 0.94 DGAT1 (0.59) DGAT1MEN1POLBKMT2A
SCHEMBL441208 0.92 DGAT1 (0.54) DGAT1
SCHEMBL442538 0.91 DGAT1 (0.59) DGAT1MEN1POLBKMT2A
SCHEMBL463631 0.91 DGAT1 (0.58) DGAT1
SCHEMBL440825 0.90 DGAT1 (0.58) DGAT1
SCHEMBL463723 0.90 DGAT1 (0.51) DGAT1MEN1KMT2A
SCHEMBL440581 0.90 DGAT1 (0.60) DGAT1
SCHEMBL463649 0.89 DGAT1 (0.52) DGAT1
SCHEMBL441133 0.89 DGAT1 (0.53) DGAT1POLB
SCHEMBL438636 0.89 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
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