SCHEMBL9703312

SCHEMBL9703312

O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCC[C@H]1C=NOCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.60
GFER P55789 1/20 0.50
CTRB1 P17538 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL9703304 1.00 PREP (0.60) PREPGFERCTRB1NPSR1KMT2A
SCHEMBL9702694 0.89 PREP (0.62) PREPGFERCTRB1NPSR1KMT2A
SCHEMBL9702688 0.89 PREP (0.62) PREPGFERCTRB1NPSR1KMT2A
SCHEMBL9702301 0.89 PREP (0.59) PREPGFERNPSR1KMT2AMEN1
SCHEMBL9702297 0.89 PREP (0.59) PREPGFERNPSR1KMT2AMEN1
Z-Pro-Prolinal SCHEMBL7272251 0.87 PREP (0.67) PREPCTRB1NPSR1KMT2ATSHR
Z-Pro-Prolinal SCHEMBL1219336 0.87 PREP (0.67) PREPCTRB1NPSR1KMT2ATSHR
Z-Pro-Prolinal SCHEMBL1380758 0.87 PREP (0.67) PREPCTRB1NPSR1KMT2ATSHR
SCHEMBL8639445 0.85 PREP (0.65) PREPCTRB1NPSR1KMT2ATSHR
SCHEMBL3560856 0.84 TSHR (0.51) PREPGFERNPSR1TSHRL3MBTL1

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 4 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
EP-0419683-A1 NEW AMINO ACID DERIVATIVES HAVING PROLYLENDOPEPTIDASE INHIBITOR ACTIVITY Japan Tobacco Inc. (JP) 1991-04-03 EP disclosed