SCHEMBL7598385

SCHEMBL7598385

COc1cccc([C@@H](C)N(C(=O)OC(C)(C)C)[C@H](CCCNC(=O)OCc2ccccc2)C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.44
TPSAB1 Q15661 2/20 0.43
TPSD1 Q9BZJ3 2/20 0.43
TPSG1 Q9NRR2 2/20 0.43
MAPT P10636 1/20 0.42
FOLH1 Q04609 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
PSMB5 P28074 1/20 0.40
KLK7 P49862 2/20 0.39
KLK5 Q9Y337 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ABCB1 P08183 1/20 0.39
BACE1 P56817 2/20 0.38
HTT P42858 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A1 P43005 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
SCHEMBL7594433 0.92 TPSAB1 (0.45) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7598318 0.92 TPSAB1 (0.45) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7597375 0.92 MAPT (0.49) TPSAB1TPSD1TPSG1MAPTFOLH1
Hydrochloric Acid SCHEMBL7600343 0.91 MAPT (0.48) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7600395 0.89 TPSAB1 (0.44) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7594440 0.89 TPSAB1 (0.45) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7600469 0.88 TRPM8 (0.46) TRPM8FOLH1PSMB5MTNR1AMTNR1B
SCHEMBL7595041 0.88 MAPT (0.47) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7594753 0.88 MAPT (0.47) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7597561 0.87 ALOX5 (0.48) TPSAB1TPSD1TPSG1MAPTFOLH1

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