SCHEMBL11409248

SCHEMBL11409248

COC(=O)C(C(=O)N(C)C)c1ccc(OC(=O)C2CCCc3ccc(N)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.42
C5AR1 P21730 2/20 0.40
GPR183 P32249 1/20 0.39
ADGRF1 Q5T601 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL11417882 0.86 ACHE (0.39) ACHEC5AR1GPR183ADGRF1GPR65
SCHEMBL11415712 0.85 PPARG (0.45) ACHEC5AR1GPR183ADGRF1GPR65
SCHEMBL11410813 0.81 ACHE (0.44) ACHEC5AR1GPR183ADGRF1GPR65
SCHEMBL11410708 0.81 ACHE (0.34) ACHESLC6A3
SCHEMBL11415709 0.81 ACHE (0.40) ACHEC5AR1GPR183ADGRF1GPR65
Hydrochloric Acid SCHEMBL11409887 0.81 ACHE (0.43) ACHEC5AR1GPR183ADGRF1GPR65
SCHEMBL11408975 0.79 ACHE (0.44) ACHEC5AR1
SCHEMBL11414903 0.79 PPARG (0.48) ACHEC5AR1GPR183ADGRF1GPR65
SCHEMBL11408296 0.77 ACHE (0.42) ACHEC5AR1
SCHEMBL11407590 0.77 ACHE (0.44) ACHEC5AR1

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
US-4214093-A PROTEOLYTIC ENZYME INHIBITORS TORII & CO., LTD. (JP) 1980-07-22 US claimed