SCHEMBL12433335

SCHEMBL12433335

CC(=O)c1ccc(N)c(NC(=O)C(C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.54
LNPEP Q9UIQ6 4/20 0.42
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
ERAP2 Q6P179 3/20 0.41
JAK2 O60674 1/20 0.40
HDAC2 Q92769 1/20 0.39

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
SCHEMBL1391452 0.89 AAK1 (0.53) AAK1LNPEPERAP2
SCHEMBL1391454 0.89 AAK1 (0.53) AAK1LNPEPERAP2
SCHEMBL12432823 0.87 HRH2 (0.42) AAK1HRH2HRH1JAK2
SCHEMBL12432828 0.84 HRH2 (0.42) AAK1HRH2HRH1JAK2
SCHEMBL9286086 0.81 AAK1 (0.51) AAK1JAK2HDAC2
SCHEMBL9283981 0.81 AAK1 (0.51) AAK1JAK2HDAC2
SCHEMBL2509375 0.79 AAK1 (0.49) AAK1JAK2
SCHEMBL2509377 0.79 AAK1 (0.49) AAK1JAK2
SCHEMBL22078572 0.77 AAK1 (0.53) AAK1JAK2
SCHEMBL23754447 0.76 PPARG (0.45) AAK1JAK2

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-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed