SCHEMBL8998434

SCHEMBL8998434

[N-]=[N+]=CC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.58
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTRB1 P17538 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL8998498 1.00 PREP (0.58) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL29302758 0.87 PREP (0.57) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL10149465 0.87 PREP (0.57) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL27966167 0.84 PREP (0.53) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL8998442 0.84 PREP (0.63) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL8998430 0.84 PREP (0.63) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL10518301 0.83 PREP (0.67) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL10518308 0.83 PREP (0.67) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL7612368 0.80 PREP (0.59) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL5711239 0.80 PREP (0.72) PREPTSHRL3MBTL1KLK7KLK5

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