SCHEMBL2537083

SCHEMBL2537083

N=C1NCc2cc(NC(=O)C(O)C3OCCN(c4ccc5c(c4)CNC5=O)C3=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F9 P00740 13/20 0.51
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
LRRK2 Q5S007 1/20 0.38
GPR119 Q8TDV5 1/20 0.36
EIF4E P06730 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
GSK3B P49841 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL1438575 1.00 F9 (0.51) F9PIK3CAMTORPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL1439422 0.99 F9 (0.51) F9PIK3CAMTORPIK3CDPIK3CB
SCHEMBL2534642 0.95 F9 (0.50) F9PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1950684 0.95 F9 (0.50) F9PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1438648 0.94 F9 (0.48) F9PIK3CAMTORPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL1950483 0.94 F9 (0.49) F9PIK3CAMTORPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL1444418 0.94 F9 (0.48) F9PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1948275 0.90 F9 (0.49) F9PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1948837 0.90 F9 (0.49) F9PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1950302 0.90 F9 (0.57) F9

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-2373634-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2011-10-12 EP claimed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO claimed