SCHEMBL9702688

SCHEMBL9702688

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.62
CTRB1 P17538 1/20 0.52
GFER P55789 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL9702694 1.00 PREP (0.62) PREPCTRB1GFERNPSR1KMT2A
SCHEMBL9703304 0.89 PREP (0.60) PREPCTRB1GFERNPSR1KMT2A
SCHEMBL9703312 0.89 PREP (0.60) PREPCTRB1GFERNPSR1KMT2A
SCHEMBL9704488 0.89 PREP (0.66) PREPCTRB1GFERNPSR1KMT2A
SCHEMBL9704492 0.89 PREP (0.66) PREPCTRB1GFERNPSR1KMT2A
Z-Pro-Prolinal SCHEMBL1219336 0.89 PREP (0.67) PREPCTRB1NPSR1KMT2ATSHR
Z-Pro-Prolinal SCHEMBL1380758 0.89 PREP (0.67) PREPCTRB1NPSR1KMT2ATSHR
Z-Pro-Prolinal SCHEMBL7272251 0.89 PREP (0.67) PREPCTRB1NPSR1KMT2ATSHR
SCHEMBL9702301 0.87 PREP (0.59) PREPGFERNPSR1KMT2ATSHR
SCHEMBL9702297 0.87 PREP (0.59) PREPGFERNPSR1KMT2ATSHR

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