SCHEMBL2500398

SCHEMBL2500398

NCc1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(OCC(=O)O)c3)C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.57
TP53 P04637 1/20 0.40
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL17237650 1.00 F9 (0.57) F9TP53ITGB3ITGA2BHDAC6
SCHEMBL1945578 0.90 F9 (0.54) F9HDAC6MAPT
SCHEMBL1945581 0.90 F9 (0.54) F9HDAC6MAPT
SCHEMBL1947266 0.89 F9 (0.73) F9ITGB3ITGA2B
SCHEMBL12545875 0.89 F9 (0.57) F9HDAC6MAPTMAPK1
Hydrochloric Acid SCHEMBL1947337 0.89 F9 (0.72) F9ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL1947626 0.86 F9 (0.49) F9ITGB3HDAC6
SCHEMBL12569571 0.86 F9 (0.54) F9HDAC6
SCHEMBL17237624 0.86 F9 (0.57) F9
SCHEMBL12546788 0.84 F9 (0.53) F9HDAC6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP claimed
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