SCHEMBL4352828

SCHEMBL4352828

CC(C)(C)N(C[C@@H](N)Cc1cccc(F)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.51
DPP4 P27487 5/20 0.44
DPP7 Q9UHL4 3/20 0.44
RIPK1 Q13546 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 2/20 0.40
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
FAP Q12884 1/20 0.40
ROCK1 Q13464 1/20 0.39
SLC7A5 Q01650 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL4352830 1.00 SLC1A1 (0.51) SLC1A1DPP4DPP7RIPK1MEN1
SCHEMBL4349071 0.86 MEN1 (0.41) MEN1KMT2AANPEPENPEPSLC7A5
SCHEMBL4349075 0.86 MEN1 (0.41) MEN1KMT2AANPEPENPEPSLC7A5
SCHEMBL4349090 0.85 HTR2A (0.55) DPP4DPP7MEN1KMT2APPARG
SCHEMBL4349086 0.85 HTR2A (0.55) DPP4DPP7MEN1KMT2APPARG
SCHEMBL1527219 0.85 EPHX1 (0.48) SLC1A1MEN1KMT2AANPEPSLC7A5
SCHEMBL14860143 0.85 EPHX1 (0.48) SLC1A1MEN1KMT2AANPEPSLC7A5
SCHEMBL14860145 0.85 EPHX1 (0.48) SLC1A1MEN1KMT2AANPEPSLC7A5
SCHEMBL4345868 0.85 PNMT (0.50) DPP4RIPK1MEN1KMT2ACTSS
SCHEMBL4345865 0.85 PNMT (0.50) DPP4RIPK1MEN1KMT2ACTSS

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-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed