SCHEMBL7594441

SCHEMBL7594441

CC(C)(C)OC(=O)N([C@H](CCCNC(=O)OCc1ccccc1)C(N)=O)[C@@H](CO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TPSAB1 Q15661 2/20 0.47
TPSD1 Q9BZJ3 2/20 0.47
TPSG1 Q9NRR2 2/20 0.47
FOLH1 Q04609 4/20 0.46
BACE1 P56817 1/20 0.46
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HTT P42858 1/20 0.43
KLK7 P49862 2/20 0.43
KLK5 Q9Y337 2/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
ABCB1 P08183 1/20 0.42
SYK P43405 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
LMNA P02545 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
SCHEMBL7596306 1.00 MAPT (0.47) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7595281 0.93 TPSAB1 (0.44) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7594719 0.93 TPSAB1 (0.44) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7600627 0.93 MAPT (0.47) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7597375 0.91 MAPT (0.49) MAPTTPSAB1TPSD1TPSG1FOLH1
Hydrochloric Acid SCHEMBL7600343 0.90 MAPT (0.48) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7594753 0.86 MAPT (0.47) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7595041 0.86 MAPT (0.47) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7600933 0.86 FOLH1 (0.46) FOLH1HTTSLC1A3SLC1A1KEAP1
SCHEMBL7598858 0.86 FOLH1 (0.46) FOLH1HTTSLC1A3SLC1A1KEAP1

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