SCHEMBL8083322

SCHEMBL8083322

CCOC(=O)CNC(C(=O)N1CCC1C(=O)NCc1ccc(C(=N)ON)cc1)C1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.78
PLAT P00750 1/20 0.45
PRSS1 P07477 1/20 0.45
F10 P00742 4/20 0.43
ALDH1A1 P00352 1/20 0.39
MASP2 O00187 1/20 0.38
PROC P04070 1/20 0.38
F7 P08709 1/20 0.38

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
Ximelagatran SCHEMBL8039753 0.90 F2 (0.76) F2PLATPRSS1F10ALDH1A1
Ximelagatran SCHEMBL14542684 0.90 F2 (0.76) F2PLATPRSS1F10ALDH1A1
Ximelagatran SCHEMBL15908919 0.87 F2 (1.00) F2PLATPRSS1F10ALDH1A1
Ximelagatran SCHEMBL4845 0.87 F2 (1.00) F2PLATPRSS1F10ALDH1A1
Ximelagatran SCHEMBL19065093 0.87 F2 (1.00) F2PLATPRSS1F10ALDH1A1
Ximelagatran SCHEMBL14509860 0.87 F2 (1.00) F2PLATPRSS1F10ALDH1A1
SCHEMBL7217026 0.85 F2 (0.76) F2PLATPRSS1F10ALDH1A1
SCHEMBL14509381 0.84 F2 (0.70) F2PLATPRSS1F10MASP2
SCHEMBL6818264 0.84 F2 (0.77) F2PLATPRSS1F10ALDH1A1
SCHEMBL681225 0.82 F2 (0.65) F2PLATPRSS1F10ALDH1A1

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