SCHEMBL8998429

SCHEMBL8998429

O=C(CCO)[C@@H]1CSCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.69
CTRB1 P17538 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.46
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
PRCP P42785 1/20 0.46
GFER P55789 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL8998438 1.00 PREP (0.69) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL5711239 0.89 PREP (0.72) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8998505 0.84 PREP (0.59) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8998490 0.84 PREP (0.59) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8998442 0.84 PREP (0.63) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8998430 0.84 PREP (0.63) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8998537 0.82 PREP (0.74) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8998528 0.82 PREP (0.74) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8998533 0.82 PREP (0.74) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL9701702 0.81 PREP (0.67) PREPCTRB1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670309-A1 COMPOUND WITH PROLYL ENDOPEPTIDASE INHIBITOR ACTIVITY AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 1995-09-06 EP claimed
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