SCHEMBL12812809

SCHEMBL12812809

CC(C)(C)OC(=O)N(Cc1cc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(OCc4ccccc4)c3)C2=O)ccc1C#N)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 10/20 0.45
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR2 Q92731 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
BACE1 P56817 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL1949447 0.91 MAPT (0.37) F9MAPTALDH1A1HPGDHTT
SCHEMBL1949446 0.91 MAPT (0.37) F9MAPTALDH1A1HPGDHTT
SCHEMBL16588071 0.91 F9 (0.44) F9UBE2MDCUN1D1BACE1
SCHEMBL12548168 0.90 F9 (0.45) F9MAPTALDH1A1HPGDHTT
SCHEMBL1947946 0.89 F9 (0.43) F9MAPTALDH1A1LMNAKMT2A
SCHEMBL16588074 0.88 F9 (0.44) F9ALDH1A1LMNA
SCHEMBL16588021 0.87 F9 (0.42) F9BACE1MAPK14
SCHEMBL12817540 0.87 F9 (0.47) F9ALDH1A1KMT2AMEN1
SCHEMBL7904802 0.86 F9 (0.45) F9BACE1
SCHEMBL15108894 0.86 F9 (0.43) F9MAPK14

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-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 WO disclosed