SCHEMBL4435150

SCHEMBL4435150

N[C@H](CNC(=O)O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.49
DPP7 Q9UHL4 1/20 0.49
EPHX2 P34913 7/20 0.47
POLB P06746 2/20 0.46
PPARG P37231 6/20 0.45
PPARA Q07869 1/20 0.45
MMP2 P08253 3/20 0.44
CDK2 P24941 1/20 0.42
AKT1 P31749 1/20 0.42
GAA P10253 1/20 0.42
POLQ O75417 1/20 0.42

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
SCHEMBL4435154 1.00 DPP4 (0.49) DPP4DPP7EPHX2POLBPPARG
SCHEMBL975350 0.81 DPP4 (0.58) DPP4DPP7EPHX2POLBPPARG
SCHEMBL29478373 0.81 DPP4 (0.58) DPP4DPP7EPHX2POLBPPARG
SCHEMBL975351 0.81 DPP4 (0.58) DPP4DPP7EPHX2POLBPPARG
SCHEMBL29478366 0.81 DPP4 (0.58) DPP4DPP7EPHX2POLBPPARG
SCHEMBL2028473 0.81 DPP4 (0.58) DPP4DPP7EPHX2POLBPPARG
Hydrochloric Acid SCHEMBL1311085 0.79 DPP4 (0.57) DPP4DPP7EPHX2POLBPPARG
Hydrochloric Acid SCHEMBL14118972 0.79 DPP4 (0.57) DPP4DPP7EPHX2POLBPPARG
SCHEMBL3509115 0.78 CNR2 (0.50) EPHX2POLBGAA
SCHEMBL42976 0.77 PPARG (0.53) DPP4DPP7EPHX2PPARGPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed