SCHEMBL10074725

SCHEMBL10074725

CC(C)(CNC(=O)CC(Cc1cc(F)ccc1F)NC(=O)C(C)(C)C)CNC(=O)[C@@H](OC(=O)C(C)(C)C)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.35
CTSB P07858 3/20 0.34
MMP12 P39900 1/20 0.33
SCN9A Q15858 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CTSD P07339 1/20 0.32
UGCG Q16739 1/20 0.31
REN P00797 1/20 0.31
PSMB11 A5LHX3 1/20 0.31
PSMD11 O00231 1/20 0.31
PSMD12 O00232 1/20 0.31
PSMD14 O00487 1/20 0.31
PSMA7 O14818 1/20 0.31
PSMD3 O43242 1/20 0.31
PSMC3 P17980 1/20 0.31
PSMB1 P20618 1/20 0.31
PSMA1 P25786 1/20 0.31
PSMA2 P25787 1/20 0.31
PSMA3 P25788 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
SCHEMBL10074284 0.91 CTSS (0.35) CTSSCTSBMMP12SCN9ACYP3A4
SCHEMBL10078386 0.91 CTSS (0.35) CTSSCTSBMMP12SCN9ACYP3A4
SCHEMBL10074317 0.91 CTSS (0.35) CTSSCTSBMMP12SCN9ACYP3A4
SCHEMBL10074719 0.91 CTSS (0.41) CTSSCTSBSCN9ACTSDREN
SCHEMBL10078262 0.87 MMP12 (0.36) CTSSCTSBMMP12SCN9ACYP3A4
SCHEMBL10074733 0.85 CTSD (0.33) CTSDRENDPP4
SCHEMBL10078388 0.85 CTSD (0.33) CTSDRENDPP4
SCHEMBL10074286 0.85 CTSD (0.33) CTSDRENDPP4
SCHEMBL10074282 0.84 CTSS (0.40) CTSSCTSBSCN9ACTSDREN
SCHEMBL10074290 0.84 CTSS (0.40) CTSSCTSBSCN9ACTSDREN

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
EP-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed