SCHEMBL9702386

SCHEMBL9702386

O=C(OCc1ccccc1)N1CCC(=S)[C@H]1C(=O)N1CSC[C@H]1C=NO

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.46
PARP1 P09874 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL9702413 0.89 PREP (0.45) PREPSMN1; SMN2
SCHEMBL9704488 0.82 PREP (0.66) PREPL3MBTL1
SCHEMBL9704492 0.82 PREP (0.66) PREPL3MBTL1
SCHEMBL9701698 0.81 DPP4 (0.48) PREPPARP1NPC1RAB9ASMN1; SMN2
SCHEMBL7400021 0.76 NPC1 (0.52) PREPPARP1NPC1RAB9ASMN1; SMN2
SCHEMBL9702643 0.71 PREP (0.64) PREPL3MBTL1
SCHEMBL9702648 0.71 PREP (0.64) PREPL3MBTL1
SCHEMBL9702694 0.70 PREP (0.62) PREPL3MBTL1
SCHEMBL9702688 0.70 PREP (0.62) PREPL3MBTL1
SCHEMBL6204670 0.70 SIGMAR1 (0.49) L3MBTL1

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