SCHEMBL8069618

SCHEMBL8069618

CC(C)(C)OC(=O)N(CCc1ccc(OCC2CC2)cc1)[C@H](CCCNC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
TPSAB1 Q15661 2/20 0.41
TPSD1 Q9BZJ3 2/20 0.41
TPSG1 Q9NRR2 2/20 0.41
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
HTRA1 Q92743 1/20 0.40
FOLH1 Q04609 1/20 0.39
ABCB1 P08183 1/20 0.38
ACACB O00763 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
SCHEMBL8073042 0.88 TPSAB1 (0.44) TPSAB1TPSD1TPSG1KLK7KLK5
SCHEMBL8068255 0.87 TPSAB1 (0.46) TPSAB1TPSD1TPSG1KLK7KLK5
SCHEMBL8068132 0.86 CTSS (0.42) CTSSCTSKMAPTL3MBTL1FOLH1
SCHEMBL7598409 0.86 CTSS (0.45) CTSSCTSKTPSAB1TPSD1TPSG1
SCHEMBL8058852 0.82 TPSAB1 (0.43) TPSAB1TPSD1TPSG1MAPTL3MBTL1
SCHEMBL8068012 0.80 CTSS (0.49) CTSSCTSKKLK7KLK5MAPT
SCHEMBL21460902 0.79 MAPT (0.51) TPSAB1TPSD1TPSG1KLK7KLK5
SCHEMBL21460905 0.79 MAPT (0.51) TPSAB1TPSD1TPSG1KLK7KLK5
SCHEMBL15802459 0.79 MAPT (0.49) TPSAB1TPSD1TPSG1KLK7KLK5
SCHEMBL7597561 0.78 ALOX5 (0.48) TPSAB1TPSD1TPSG1KLK7KLK5

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