SCHEMBL11409246

SCHEMBL11409246

CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)C2CCCc3ccc(N)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.44
KLK1 P06870 2/20 0.44
PRSS1 P07477 2/20 0.44
SLC22A2 O15244 1/20 0.44
TMPRSS2 O15393 1/20 0.44
HPN P05981 1/20 0.44
PRSS2 P07478 1/20 0.44
CTSL P07711 1/20 0.44
CNR1 P21554 1/20 0.44
PRSS3 P35030 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRD1 P41143 1/20 0.44
HGFAC Q04756 1/20 0.44
KCNH2 Q12809 1/20 0.44
SLC47A2 Q86VL8 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44
ACHE P22303 11/20 0.41
C5AR1 P21730 2/20 0.37
GPR183 P32249 1/20 0.37
ADGRF1 Q5T601 1/20 0.37

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
SCHEMBL11415715 0.91 ACHE (0.40) F2KLK1PRSS1SLC22A2TMPRSS2
SCHEMBL11408296 0.87 ACHE (0.42) F2KLK1PRSS1SLC22A2TMPRSS2
SCHEMBL11417878 0.86 F2 (0.42) F2KLK1PRSS1SLC22A2TMPRSS2
SCHEMBL11415709 0.85 ACHE (0.40) ACHEC5AR1GPR183ADGRF1GPR65
SCHEMBL11410705 0.82 F2 (0.44) F2KLK1PRSS1SLC22A2TMPRSS2
SCHEMBL11414907 0.81 CYP4F2 (0.41) F2ACHEALDH1A1
SCHEMBL11415712 0.79 PPARG (0.45) ACHEC5AR1GPR183ADGRF1GPR65
SCHEMBL11410813 0.78 ACHE (0.44) ACHEC5AR1GPR183ADGRF1GPR65
SCHEMBL11408975 0.78 ACHE (0.44) ACHEC5AR1ALDH1A1
SCHEMBL11414455 0.78 LMNA (0.47) PRSS1ACHEALDH1A1

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