SCHEMBL8087106

SCHEMBL8087106

N=C(N)c1ccc(CONC(=O)C2CCN2C(=O)C(NCC(=O)O)C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 16/20 0.52
▸ PROC P04070 2/20 0.47
▸ F10 P00742 1/20 0.47
▸ F7 P08709 1/20 0.47
▸ PRSS1 P07477 3/20 0.43
▸ TMPRSS15 P98073 1/20 0.39
▸ TMPRSS11D O60235 1/20 0.38
▸ MASP2 O00187 1/20 0.38
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 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
Melagatran SCHEMBL8083301 0.88 F2 (0.64) F2PROCF10F7MASP2
Melagatran SCHEMBL23840802 0.88 F2 (0.64) F2PROCF10F7MASP2
Melagatran SCHEMBL27652 0.88 F2 (0.64) F2PROCF10F7MASP2
Melagatran SCHEMBL20567754 0.88 F2 (0.64) F2PROCF10F7MASP2
Melagatran SCHEMBL27557537 0.87 F2 (0.63) F2PROCF10F7MASP2
Melagatran SCHEMBL3209070 0.87 F2 (0.63) F2PROCF10F7MASP2
Melagatran SCHEMBL5706395 0.87 F2 (0.63) F2PROCF10F7MASP2
Melagatran SCHEMBL29160734 0.87 F2 (0.63) F2PROCF10F7MASP2
SCHEMBL23793366 0.86 F2 (0.62) F2PROCF10F7MASP2
SCHEMBL23840808 0.83 F2 (0.64) F2PROCF10F7TMPRSS11D

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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