SCHEMBL8998533

SCHEMBL8998533

O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CSCC1[C@H](O)CCO

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.74
CTRB1 P17538 1/20 0.48
KMT2A Q03164 1/20 0.47
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL8998537 1.00 PREP (0.74) PREPCTRB1KMT2AKLK7KLK5
SCHEMBL8998528 1.00 PREP (0.74) PREPCTRB1KMT2AKLK7KLK5
SCHEMBL8998388 0.86 PREP (0.72) PREPCTRB1KMT2AKLK7KLK5
SCHEMBL8998396 0.86 PREP (0.72) PREPCTRB1KMT2AKLK7KLK5
SCHEMBL8998409 0.86 PREP (0.72) PREPCTRB1KMT2AKLK7KLK5
SCHEMBL8998471 0.85 PREP (0.66) PREPCTRB1KMT2AKLK7KLK5
SCHEMBL8998476 0.85 PREP (0.66) PREPCTRB1KMT2AKLK7KLK5
SCHEMBL9227940 0.85 PREP (0.66) PREPCTRB1KMT2AKLK7KLK5
SCHEMBL5711239 0.82 PREP (0.72) PREPCTRB1KMT2AKLK7KLK5
SCHEMBL8998429 0.82 PREP (0.69) PREPCTRB1KMT2AKLK7KLK5

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