SCHEMBL8075938

SCHEMBL8075938

CCNOC(=O)CNC(C(=O)N1CCC1C(=O)NOCc1ccc(/C(N)=N/O)cc1)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 11/20 0.68
▸ PRSS1 P07477 2/20 0.36
▸ PLAT P00750 1/20 0.36
▸ ITGB3 P05106 3/20 0.34
▸ ITGA2B P08514 3/20 0.34
▸ FKBP5 Q13451 1/20 0.32
▸ BIRC2 Q13490 4/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ F10 P00742 2/20 0.31
▸ PROC P04070 1/20 0.30
▸ F7 P08709 1/20 0.30

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
SCHEMBL8080981 0.92 F2 (0.67) F2PRSS1PLATITGB3ITGA2B
SCHEMBL8081029 0.91 F2 (0.81) F2PRSS1PLATITGB3ITGA2B
SCHEMBL8088279 0.83 F2 (0.79) F2PRSS1PLATITGB3ITGA2B
Ximelagatran SCHEMBL15908919 0.81 F2 (1.00) F2PRSS1PLATITGB3ITGA2B
Ximelagatran SCHEMBL19065093 0.81 F2 (1.00) F2PRSS1PLATITGB3ITGA2B
Ximelagatran SCHEMBL4845 0.81 F2 (1.00) F2PRSS1PLATITGB3ITGA2B
Ximelagatran SCHEMBL14509860 0.81 F2 (1.00) F2PRSS1PLATITGB3ITGA2B
SCHEMBL8087106 0.80 F2 (0.52) F2PRSS1ITGB3ITGA2BF10
SCHEMBL8302614 0.77 F2 (0.79) F2PRSS1PLATF10PROC
Ximelagatran SCHEMBL7222774 0.75 F2 (0.88) F2PRSS1PLATITGB3ITGA2B

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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