SCHEMBL7529252

SCHEMBL7529252

CC(C)C(C(=O)O)N(C)C(=O)C(N)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
DPP4 P27487 2/20 0.33
TP53 P04637 1/20 0.32
ADAMTS4 O75173 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL7529258 1.00 SLC7A5 (0.41) SLC7A5DPP4TP53ADAMTS4SLC1A3
Hydrochloric Acid SCHEMBL954589 0.78 SLC7A5 (0.38) SLC7A5DPP4TP53
SCHEMBL23118418 0.77 ADAMTS4 (0.35) SLC7A5TP53ADAMTS4
SCHEMBL5495984 0.76 SLC7A5 (0.39) SLC7A5TP53SLC1A3SLC1A2SLC1A1
SCHEMBL8585917 0.74 SLC7A5 (0.53) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL23821149 0.73 SLC1A2 (0.41) SLC7A5DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL28906020 0.73 SLC7A5 (0.39) SLC7A5TP53ADAMTS4SLC1A3SLC1A2
SCHEMBL3983698 0.72 DPP4 (0.36) SLC7A5DPP4TP53
SCHEMBL4157374 0.72 DPP4 (0.36) SLC7A5DPP4TP53
SCHEMBL4155785 0.72 DPP4 (0.36) SLC7A5DPP4TP53

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-1190066-A2 METHOD OF MODIFYING PEPTIDE SYNTHETASES SUCH THAT THEY CAN N-METHYLATE THEIR SUBSTRATE AMINO ACIDS Actinodrug Pharmaceuticals GmbH (DE) 2002-03-27 EP disclosed
WO-2000077220-A2 METHOD OF MODIFYING PEPTIDE SYNTHETASES SUCH THAT THEY CAN N-METHYLATE THEIR SUBSTRATE AMINO ACIDS ACTINODRUG PHARMACEUTICALS GMBH (DE) 2000-12-21 WO disclosed