SCHEMBL4381682

SCHEMBL4381682

CC(C)COC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GRM5 P41594 1/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
SCHEMBL12679220 0.86 SCN9A (0.46) KMT2AMEN1GRM5CYP3A4SCN9A
SCHEMBL3508771 0.83 MEN1 (0.50) KMT2AMEN1GRM5EPHX2PPARG
SCHEMBL4379672 0.81 KMT2A (0.43) KMT2AMEN1PLA2G1BATG4BHTT
SCHEMBL16716171 0.79 MEN1 (0.50) KMT2AMEN1GRM5PPARGALDH1A1
SCHEMBL4336440 0.78 CYP2D6 (0.41) KMT2AMEN1PLA2G1BATG4BHTT
SCHEMBL4583413 0.78 KMT2A (0.50) KMT2AMEN1RAB9ACYP3A4CYP2D6
SCHEMBL10254586 0.76 TGM2 (0.49) CACNA1FCACNA1DCACNA1SCACNA1CCYP3A4
SCHEMBL4374776 0.76 CYP3A4 (0.48) KMT2APLA2G1BATG4BRAB9ACYP3A4
SCHEMBL12681264 0.75 MEN1 (0.45) KMT2AMEN1GRM5ALDH1A1MAPT
SCHEMBL5551458 0.75 PLA2G1B (0.47) KMT2AMEN1PLA2G1BATG4BHTT

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 4 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
EP-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed