SCHEMBL9704488

SCHEMBL9704488

O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CSC[C@H]1/C=N/O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.66
GFER P55789 1/20 0.48
CTRB1 P17538 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46

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
SCHEMBL9704492 1.00 PREP (0.66) PREPGFERCTRB1NPSR1KMT2A
SCHEMBL9702694 0.89 PREP (0.62) PREPGFERCTRB1NPSR1KMT2A
SCHEMBL9702688 0.89 PREP (0.62) PREPGFERCTRB1NPSR1KMT2A
SCHEMBL9702643 0.88 PREP (0.64) PREPGFERCTRB1NPSR1KMT2A
SCHEMBL9702648 0.88 PREP (0.64) PREPGFERCTRB1NPSR1KMT2A
SCHEMBL5711239 0.85 PREP (0.72) PREPGFERCTRB1NPSR1KMT2A
SCHEMBL9702386 0.82 PREP (0.46) PREPL3MBTL1
SCHEMBL9701702 0.81 PREP (0.67) PREPCTRB1NPSR1
SCHEMBL8998438 0.80 PREP (0.69) PREPGFERCTRB1NPSR1KMT2A
SCHEMBL8998429 0.80 PREP (0.69) PREPGFERCTRB1NPSR1KMT2A

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