SCHEMBL8750854

SCHEMBL8750854

O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.68
CTRB1 P17538 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 1/20 0.56
KLK7 P49862 1/20 0.56
KLK5 Q9Y337 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
GFER P55789 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL8750947 1.00 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8750859 1.00 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL488745 0.97 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL6384850 0.97 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL488744 0.97 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8161156 0.96 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8161155 0.96 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8161153 0.96 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL11262909 0.96 PREP (0.69) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL11262912 0.96 PREP (0.69) PREPCTRB1NPSR1TSHRL3MBTL1

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
EP-0764151-A2 PURIFICATION OF SERINE PROTEASE AND SYNTHETIC INHIBITORS THEREOF UNIVERSITAIRE INSTELLING ANTWERPEN (BE) 1997-03-26 EP disclosed
WO-1995034538-A2 PURIFICATION OF SERINE PROTEASES AND SYNTHETIC INHIBITORS THEREOF UNIVERSITAIRE INSTELLING ANTWERPEN (BE) 1995-12-21 WO disclosed