SCHEMBL9049063

SCHEMBL9049063

O=C(C1CCN[C@@H]1C(O)=S)[C@@H]1CCCN1C(=O)CCc1cc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.52
ADAM10 O14672 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
F2 P00734 1/20 0.36
DPP4 P27487 1/20 0.35
CHRM3 P20309 2/20 0.34
MAPK1 P28482 3/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9049484 0.95 PREP (0.48) PREPADAM10MMP1MMP2MMP3
SCHEMBL9046320 0.94 PREP (0.47) PREPADAM10MMP1MMP2MMP3
SCHEMBL9051648 0.91 PREP (0.60) PREPADAM10MMP1MMP2MMP3
SCHEMBL9049239 0.85 PREP (0.52) PREPADAM10MMP1MMP2MMP3
SCHEMBL9049608 0.83 MAPT (0.45) PREPHRH3NPC1RAB9AL3MBTL1
SCHEMBL9047928 0.80 PREP (0.49) PREPADAM10MMP1MMP2MMP3
SCHEMBL9047474 0.80 PREP (0.48) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050108 0.77 PREP (0.49) PREPF2DPP4CHRM3HCRTR1
SCHEMBL9050156 0.77 PREP (0.33) PREPNPC1RAB9AL3MBTL1KDM4E
SCHEMBL9050498 0.77 PREP (0.44) PREPF2DPP4CHRM3HTR1A

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
EP-0536399-B1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-01-24 EP disclosed
US-5407950-A Brain disorders, senile dementia ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-18 US disclosed
EP-0536399-A1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-04-14 EP disclosed