SCHEMBL8068012

SCHEMBL8068012

NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NCCc1ccc(OCC2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
ADAM10 O14672 1/20 0.44
MMP14 P50281 1/20 0.44
ADAM17 P78536 1/20 0.44
FOLH1 Q04609 2/20 0.43
HTT P42858 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
ITGAV P06756 1/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41

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
Hydrochloric Acid SCHEMBL8058965 0.89 MMP2 (0.51) MAPTL3MBTL1MMP2MMP9ADAM10
Hydrochloric Acid SCHEMBL8069339 0.84 HTT (0.50) MMP2MMP9FOLH1HTTSIRT2
SCHEMBL7318212 0.84 FOLH1 (0.58) MMP2MMP9FOLH1HTTSIRT2
SCHEMBL7311020 0.84 FOLH1 (0.58) MMP2MMP9FOLH1HTTSIRT2
Hydrochloric Acid SCHEMBL8074447 0.82 MMP2 (0.53) MMP2MMP9ADAM10MMP14ADAM17
Hydrochloric Acid SCHEMBL8068240 0.81 HTT (0.53) MMP2MMP9FOLH1HTTSIRT2
Hydrochloric Acid SCHEMBL8070255 0.81 TGM2 (0.50) CTSSMMP2MMP9MMP14FOLH1
SCHEMBL8069618 0.80 CTSS (0.42) CTSSCTSKMAPTL3MBTL1FOLH1
SCHEMBL8068132 0.80 CTSS (0.42) CTSSCTSKMAPTL3MBTL1MMP2
SCHEMBL8120405 0.77 HTT (0.56) MMP2MMP9FOLH1HTTSIRT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed