SCHEMBL8998430

SCHEMBL8998430

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.63
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
HSD17B10 Q99714 1/20 0.47
CTRB1 P17538 1/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 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
SCHEMBL8998442 1.00 PREP (0.63) PREPKLK7KLK5HSD17B10CTRB1
SCHEMBL10518308 0.87 PREP (0.67) PREPKLK7KLK5TSHRALDH1A1
SCHEMBL10518301 0.87 PREP (0.67) PREPKLK7KLK5TSHRALDH1A1
SCHEMBL7612368 0.84 PREP (0.59) PREPKLK7KLK5HSD17B10CTRB1
SCHEMBL5711239 0.84 PREP (0.72) PREPKLK7KLK5HSD17B10CTRB1
SCHEMBL8998438 0.84 PREP (0.69) PREPKLK7KLK5HSD17B10CTRB1
SCHEMBL8998429 0.84 PREP (0.69) PREPKLK7KLK5HSD17B10CTRB1
SCHEMBL8998498 0.84 PREP (0.58) PREPKLK7KLK5HSD17B10CTRB1
SCHEMBL8998434 0.84 PREP (0.58) PREPKLK7KLK5HSD17B10CTRB1
SCHEMBL5711258 0.81 PREP (0.71) PREPNPSR1KMT2A

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