SCHEMBL7594433

SCHEMBL7594433

COc1ccc([C@@H](C)N(C(=O)OC(C)(C)C)[C@H](CCCNC(=O)OCc2ccccc2)C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
MAPT P10636 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44
FOLH1 Q04609 3/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
ABCB1 P08183 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A1 P43005 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL7598318 1.00 TPSAB1 (0.45) TPSAB1TPSD1TPSG1MAPTCA1
SCHEMBL7597561 0.93 ALOX5 (0.48) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7594440 0.93 TPSAB1 (0.45) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7597375 0.93 MAPT (0.49) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7595041 0.92 MAPT (0.47) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7594753 0.92 MAPT (0.47) TPSAB1TPSD1TPSG1MAPTFOLH1
Hydrochloric Acid SCHEMBL7600343 0.92 MAPT (0.48) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7598385 0.92 TRPM8 (0.44) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7595281 0.92 TPSAB1 (0.44) TPSAB1TPSD1TPSG1MAPTCA1
SCHEMBL7594719 0.92 TPSAB1 (0.44) TPSAB1TPSD1TPSG1MAPTCA1

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-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed
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