SCHEMBL9701698

SCHEMBL9701698

N#C[C@@H]1CSCN1C(=O)[C@@H]1C(=S)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
PREP P48147 10/20 0.46
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL9702386 0.81 PREP (0.46) PREPNPC1RAB9ASMN1; SMN2PARP1
SCHEMBL9701702 0.80 PREP (0.67) DPP4PREP
SCHEMBL9702413 0.78 PREP (0.45) PREPSMN1; SMN2
SCHEMBL7400021 0.78 NPC1 (0.52) PREPNPC1RAB9ASMN1; SMN2PARP1
SCHEMBL6204670 0.73 SIGMAR1 (0.49)
SCHEMBL11192909 0.71 PREP (0.52) DPP4PREPNPC1RAB9ASMN1; SMN2
SCHEMBL6255834 0.71 NPC1 (0.47) PREPNPC1RAB9ASMN1; SMN2PARP1
SCHEMBL1437419 0.70 PREP (0.69) DPP4PREP
SCHEMBL1437422 0.70 PREP (0.69) DPP4PREP
SCHEMBL943473 0.70 PREP (0.69) DPP4PREP

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