SCHEMBL9051648

SCHEMBL9051648

O=C(C1CCN[C@@H]1C(O)=S)[C@@H]1CCCN1C(=O)Cc1cc2ccccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.60
ADAM10 O14672 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
ADAM17 P78536 1/20 0.40
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.34
RCE1 Q9Y256 1/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
CHRM3 P20309 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HTR1A P08908 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
SCHEMBL9049063 0.91 PREP (0.52) PREPADAM10MMP1MMP2MMP3
SCHEMBL9049484 0.90 PREP (0.48) PREPADAM10MMP1MMP2MMP3
SCHEMBL9046320 0.89 PREP (0.47) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050451 0.85 PREP (0.61) PREPADAM10MMP1MMP2MMP3
SCHEMBL9049608 0.84 MAPT (0.45) PREPHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL9049239 0.76 PREP (0.52) PREPADAM10MMP1MMP2MMP3
SCHEMBL9051032 0.76 PREP (0.60) PREPCHRM3CHRM2
SCHEMBL9049668 0.76 PSMB5 (0.35) PREPADAM10MMP1MMP2MMP3
SCHEMBL8153384 0.76 PREP (0.56) PREP
SCHEMBL9047928 0.75 PREP (0.49) PREPADAM10MMP1MMP2MMP3

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