SCHEMBL12812978

SCHEMBL12812978

COc1ccc(CN2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(C#N)c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 6/20 0.47
DRD2 P14416 2/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
XDH P47989 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 2/20 0.35
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1444178 0.91 F9 (0.38) F9DRD2MEN1ALDH1A1KMT2A
SCHEMBL1444174 0.91 F9 (0.38) F9DRD2MEN1ALDH1A1KMT2A
SCHEMBL12548136 0.89 F9 (0.47) F9DRD2MEN1ALDH1A1KMT2A
SCHEMBL1948427 0.81 F9 (0.49) F9MEN1ALDH1A1KMT2AMAPT
SCHEMBL1948293 0.81 F9 (0.47) F9ALDH1A1MAPTHPGDHSD17B10
SCHEMBL1949460 0.81 F9 (0.60) F9MEN1ALDH1A1KMT2AMAPT
SCHEMBL1949463 0.81 F9 (0.60) F9MEN1ALDH1A1KMT2AMAPT
SCHEMBL1949954 0.80 F9 (0.45) F9MAPTARKDM4E
SCHEMBL12548187 0.80 F9 (0.38) F9DRD2MEN1ALDH1A1KMT2A
SCHEMBL1440857 0.79 F9 (0.51) F9HPGDAR

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-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 WO disclosed