SCHEMBL8088279

SCHEMBL8088279

CCOC(=O)CNC(C(=O)N1CCC1C(=O)NOCCc1ccc(/C(N)=N/O)cc1)C1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 9/20 0.79
▸ ITGB3 P05106 3/20 0.40
▸ ITGA2B P08514 3/20 0.40
▸ F10 P00742 4/20 0.39
▸ PLAT P00750 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ SPHK1 Q9NYA1 5/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL8081029 0.92 F2 (0.81) F2ITGB3ITGA2BF10PLAT
Ximelagatran SCHEMBL15908919 0.88 F2 (1.00) F2ITGB3ITGA2BF10PLAT
Ximelagatran SCHEMBL14509860 0.88 F2 (1.00) F2ITGB3ITGA2BF10PLAT
Ximelagatran SCHEMBL19065093 0.88 F2 (1.00) F2ITGB3ITGA2BF10PLAT
Ximelagatran SCHEMBL4845 0.88 F2 (1.00) F2ITGB3ITGA2BF10PLAT
SCHEMBL8075938 0.83 F2 (0.68) F2ITGB3ITGA2BF10PLAT
SCHEMBL8080981 0.83 F2 (0.67) F2ITGB3ITGA2BF10PLAT
Ximelagatran SCHEMBL7222774 0.83 F2 (0.88) F2ITGB3ITGA2BF10PLAT
SCHEMBL15908918 0.82 F2 (0.73) F2ITGB3ITGA2BF10PLAT
SCHEMBL17473611 0.82 F2 (0.73) F2ITGB3ITGA2BF10PLAT

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
WO-2009018807-A9 OXAZOLIDINONES AS FACTOR XA INHIBITORS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF IN THERAPY SCHEBO BIOTECH AG (DE) 2009-11-12 — — WO disclosed
WO-2009018807-A1 NOVEL PHARMACEUTICALS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF IN THERAPY SCHEBO BIOTECH AG (DE) 2009-02-12 — — WO disclosed
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