SCHEMBL9701702

SCHEMBL9701702

N#C[C@@H]1CSCN1C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PREP P48147 11/20 0.67
DPP4 P27487 1/20 0.49
CTRB1 P17538 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL9702352 0.87 PREP (0.65) PREPDPP4CTRB1
SCHEMBL9701705 0.87 PREP (0.65) PREPDPP4CTRB1
SCHEMBL5711239 0.85 PREP (0.72) PREPCTRB1NPSR1
SCHEMBL8998438 0.81 PREP (0.69) PREPCTRB1NPSR1
SCHEMBL9704488 0.81 PREP (0.66) PREPCTRB1NPSR1
SCHEMBL8998429 0.81 PREP (0.69) PREPCTRB1NPSR1
SCHEMBL9704492 0.81 PREP (0.66) PREPCTRB1NPSR1
SCHEMBL9701698 0.80 DPP4 (0.48) PREPDPP4
SCHEMBL1437422 0.80 PREP (0.69) PREPDPP4
SCHEMBL1437419 0.80 PREP (0.69) PREPDPP4

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