SCHEMBL8366278

SCHEMBL8366278

N[C@H]1CCCN([C@@H](Cc2c[nH]cn2)C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.49
AKT1 P31749 4/20 0.37
KHK P50053 1/20 0.32
LRRK2 Q5S007 3/20 0.32
PRKCQ Q04759 2/20 0.32
MAP4K1 Q92918 1/20 0.32
DOT1L Q8TEK3 1/20 0.31
ROCK2 O75116 3/20 0.31
ROCK1 Q13464 3/20 0.31
CDC42BPB Q9Y5S2 3/20 0.31
CDC42BPA Q5VT25 1/20 0.31

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
SCHEMBL6334699 0.93 CPB2 (0.56) CPB2AKT1
SCHEMBL6324378 0.93 CPB2 (0.56) CPB2AKT1
SCHEMBL6324387 0.93 CPB2 (0.56) CPB2AKT1
SCHEMBL8363717 0.80 CPB2 (0.45) CPB2AKT1
SCHEMBL3843654 0.77 OPRD1 (0.35) CPB2
SCHEMBL27593612 0.76 LMNA (0.37) CPB2
SCHEMBL3838880 0.76 LMNA (0.37) CPB2
Trifluoroacetic Acid SCHEMBL6327175 0.76 CPB2 (0.43) CPB2AKT1
Histidine SCHEMBL5491748 0.74 SLC7A5 (0.38) CPB2
Histidine SCHEMBL5491744 0.74 SLC7A5 (0.38) CPB2

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-2003061653-A1 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LIMITED (GB) 2003-07-31 WO disclosed