SCHEMBL17237641

SCHEMBL17237641

CC(C)(C)c1ccccc1N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.68
F2 P00734 5/20 0.37
F10 P00742 3/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PLAU P00749 2/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
RBP4 P02753 1/20 0.36
KLK5 Q9Y337 1/20 0.36
HPN P05981 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
SCHEMBL7901577 0.88 F9 (0.70) F9F2F10ITGB3ITGA2B
SCHEMBL17237639 0.88 F9 (0.62) F9F2KLK5
SCHEMBL1948970 0.86 F9 (0.68) F9F2F10ITGB3ITGA2B
SCHEMBL1947953 0.86 F9 (0.68) F9F2F10ITGB3ITGA2B
SCHEMBL1948534 0.84 F9 (0.66) F9F2F10ITGB3ITGA2B
SCHEMBL12545890 0.84 F9 (0.82) F9F2F10PLAUPLG
SCHEMBL12547899 0.84 F9 (0.67) F9F2F10ITGB3ITGA2B
SCHEMBL1950503 0.84 F9 (0.67) F9F2F10ITGB3ITGA2B
SCHEMBL1950285 0.84 F9 (0.81) F9F10PLAUHPN
Hydrochloric Acid SCHEMBL1948826 0.83 F9 (0.80) F9F10PLAUHPN

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