SCHEMBL24327205

SCHEMBL24327205

CC(C)(C)C(NC(=O)CCCCCN)C(=O)N1CCCC1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.37
NTSR2 O95665 2/20 0.37
NTSR1 P30989 2/20 0.37
SORT1 Q99523 1/20 0.37
ELANE P08246 2/20 0.36
DPP4 P27487 1/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP8 Q14790 1/20 0.36
CASP10 Q92851 1/20 0.36

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
SCHEMBL26844465 0.89 DPP4 (0.38) ACEELANEDPP4HTR1AHTR7
SCHEMBL22955221 0.85 DPP4 (0.37) DPP4
SCHEMBL12463609 0.83 ELANE (0.41) ACEELANEDPP4CASP1CASP4
SCHEMBL26616459 0.81 ERAP2 (0.47) ACE
SCHEMBL3726967 0.80 DPP4 (0.42) ELANEDPP4CASP1CASP4CASP5
SCHEMBL25717179 0.78 ACE (0.41) ACEELANECASP1CASP4CASP5
SCHEMBL8144172 0.77 ELANE (0.54) ELANEDPP4CASP1CASP4CASP5
SCHEMBL24051779 0.77 ELANE (0.42) ACEELANEF2
SCHEMBL15196612 0.76 ELANE (0.42) ACEELANECASP1
SCHEMBL14421202 0.76 ELANE (0.42) ELANEDPP4

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
WO-2022068933-A1 COMPOUNDS AND METHODS OF TREATING DISEASES CULLGEN (SHANGHAI) , INC. (CN) 2022-04-07 WO disclosed