SCHEMBL17473611

SCHEMBL17473611

CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)N(C)c1ccc(/C(N)=N/O)cc1)C1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 8/20 0.73
▸ ITGB3 P05106 4/20 0.41
▸ ITGA2B P08514 4/20 0.41
▸ PLAT P00750 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ F10 P00742 3/20 0.32
▸ STAT6 P42226 2/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ GAA P10253 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
SCHEMBL15908918 1.00 F2 (0.73) F2ITGB3ITGA2BPLATPRSS1
Ximelagatran SCHEMBL15908919 0.84 F2 (1.00) F2ITGB3ITGA2BPLATPRSS1
Ximelagatran SCHEMBL19065093 0.84 F2 (1.00) F2ITGB3ITGA2BPLATPRSS1
Ximelagatran SCHEMBL14509860 0.84 F2 (1.00) F2ITGB3ITGA2BPLATPRSS1
Ximelagatran SCHEMBL4845 0.84 F2 (1.00) F2ITGB3ITGA2BPLATPRSS1
SCHEMBL8081029 0.83 F2 (0.81) F2ITGB3ITGA2BPLATPRSS1
SCHEMBL8088279 0.82 F2 (0.79) F2ITGB3ITGA2BPLATPRSS1
Ximelagatran SCHEMBL7222774 0.79 F2 (0.88) F2ITGB3ITGA2BPLATPRSS1
SCHEMBL8075938 0.74 F2 (0.68) F2ITGB3ITGA2BPLATPRSS1
SCHEMBL8080981 0.74 F2 (0.67) F2ITGB3ITGA2BPLATPRSS1

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
US-20180340163-A1 RECOMBINANT SERINE PROTEASES ACADEMISCH ZIEKENHUIS LEIDEN (NL) 2018-11-29 — — US disclosed
EP-2980218-A1 Aptamer thrombin complex for use as an antidote to direct acting thrombin inhibitors Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2016-02-03 — — EP disclosed
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