SCHEMBL7598409

SCHEMBL7598409

C[C@H](c1ccc(OCC2CC2)cc1)N(C(=O)OC(C)(C)C)[C@H](CCCNC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
TPSAB1 Q15661 2/20 0.42
TPSD1 Q9BZJ3 2/20 0.42
TPSG1 Q9NRR2 2/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 2/20 0.42
MAPT P10636 2/20 0.41
HTRA1 Q92743 1/20 0.40
FOLH1 Q04609 2/20 0.40
ALOX5 P09917 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ABCB1 P08183 1/20 0.39
GPR88 Q9GZN0 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL7597561 0.92 ALOX5 (0.48) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL7594440 0.89 TPSAB1 (0.45) CTSSCTSKTPSAB1TPSD1TPSG1
SCHEMBL7594433 0.89 TPSAB1 (0.45) CTSSCTSKTPSAB1TPSD1TPSG1
SCHEMBL7598318 0.89 TPSAB1 (0.45) CTSSCTSKTPSAB1TPSD1TPSG1
SCHEMBL7597375 0.89 MAPT (0.49) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL7595041 0.88 MAPT (0.47) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL7594753 0.88 MAPT (0.47) TPSAB1TPSD1TPSG1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7600343 0.88 MAPT (0.48) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL7597577 0.88 CTSS (0.46) CTSSCTSKMAPTFOLH1ALOX5
SCHEMBL7597737 0.87 TPSAB1 (0.46) TPSAB1TPSD1TPSG1ITGB3ITGA2B

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

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