SCHEMBL8998476

SCHEMBL8998476

CC(C)(C)[Si](C)(C)OCCC(O)[C@@H]1CSCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.66
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
CTRB1 P17538 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CTSK P43235 1/20 0.41
GFER P55789 1/20 0.40

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
SCHEMBL9227940 1.00 PREP (0.66) PREPKLK7KLK5ACE2CTRB1
SCHEMBL8998471 1.00 PREP (0.66) PREPKLK7KLK5ACE2CTRB1
SCHEMBL8998537 0.85 PREP (0.74) PREPKLK7KLK5ACE2CTRB1
SCHEMBL8998528 0.85 PREP (0.74) PREPKLK7KLK5ACE2CTRB1
SCHEMBL8998533 0.85 PREP (0.74) PREPKLK7KLK5ACE2CTRB1
SCHEMBL8998490 0.85 PREP (0.59) PREPKLK7KLK5CTRB1NPSR1
SCHEMBL8998505 0.85 PREP (0.59) PREPKLK7KLK5CTRB1NPSR1
SCHEMBL8998409 0.80 PREP (0.72) PREPKLK7KLK5CTRB1NPSR1
SCHEMBL8998388 0.80 PREP (0.72) PREPKLK7KLK5CTRB1NPSR1
SCHEMBL8998396 0.80 PREP (0.72) PREPKLK7KLK5CTRB1NPSR1

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
US-5536737-A Compound having prolyl endopeptidase inhibitory activity and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 1996-07-16 US disclosed
EP-0670309-A1 COMPOUND WITH PROLYL ENDOPEPTIDASE INHIBITOR ACTIVITY AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 1995-09-06 EP disclosed