SCHEMBL9702648

SCHEMBL9702648

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.64
CTSK P43235 1/20 0.47
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CTRB1 P17538 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
SCHEMBL9702643 1.00 PREP (0.64) PREPCTSKGFERNPSR1MEN1
SCHEMBL9702301 0.90 PREP (0.59) PREPCTSKGFERNPSR1MEN1
SCHEMBL9702297 0.90 PREP (0.59) PREPCTSKGFERNPSR1MEN1
SCHEMBL9704488 0.88 PREP (0.66) PREPGFERNPSR1MEN1KMT2A
SCHEMBL9704492 0.88 PREP (0.66) PREPGFERNPSR1MEN1KMT2A
SCHEMBL9702413 0.83 PREP (0.45) PREP
SCHEMBL5711239 0.81 PREP (0.72) PREPGFERNPSR1KMT2ATSHR
SCHEMBL9703312 0.79 PREP (0.60) PREPGFERNPSR1MEN1KMT2A
SCHEMBL9703304 0.79 PREP (0.60) PREPGFERNPSR1MEN1KMT2A
SCHEMBL9701702 0.78 PREP (0.67) PREPNPSR1CTRB1

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
US-5118811-A Treatment and prevention of dementia and amnesia JAPAN TOBACCO INC. (JP) 1992-06-02 US claimed
EP-0419683-A1 NEW AMINO ACID DERIVATIVES HAVING PROLYLENDOPEPTIDASE INHIBITOR ACTIVITY Japan Tobacco Inc. (JP) 1991-04-03 EP claimed
US-5118811-A Treatment and prevention of dementia and amnesia JAPAN TOBACCO INC. (JP) 1992-06-02 US disclosed