SCHEMBL8353843

SCHEMBL8353843

CC(C)(C)OC[C@@H](NS(=O)(=O)Cc1ccc(CN)cc1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 16/20 0.43
▸ TMPRSS6 Q8IU80 10/20 0.43
▸ TMPRSS11D O60235 5/20 0.43
▸ F10 P00742 4/20 0.41
▸ PLG P00747 3/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ F7 P08709 1/20 0.40
▸ TMPRSS2 O15393 2/20 0.40

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
SCHEMBL8358012 0.88 F2 (0.52) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL8345195 0.86 F2 (0.49) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL8358318 0.81 F2 (0.51) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL17381408 0.80 F2 (0.53) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL8354790 0.79 F2 (0.49) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL8345186 0.79 F2 (0.51) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL12156653 0.79 F2 (0.61) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL8346530 0.79 F2 (0.57) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL13456455 0.77 CYP2C9 (0.47) F2F10PRSS1
SCHEMBL8291001 0.77 F10 (0.56) F2TMPRSS6TMPRSS11DF10PLG

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
EP-1483285-B1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2008-05-07 — — EP disclosed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 — — WO disclosed
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