SCHEMBL12818907

SCHEMBL12818907

CC(NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1)[C@@H](Cc1cccc(C(=N)N)c1)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.83
PRSS1 P07477 18/20 0.83
TMPRSS2 O15393 1/20 0.83
F2 P00734 6/20 0.69
PLG P00747 1/20 0.63
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58

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
SCHEMBL12818865 1.00 F10 (0.83) F10PRSS1TMPRSS2F2PLG
SCHEMBL3062867 1.00 F10 (0.83) F10PRSS1TMPRSS2F2PLG
Hydrochloric Acid SCHEMBL5022879 0.99 F10 (0.82) F10PRSS1TMPRSS2F2PLG
SCHEMBL12805651 0.92 F10 (0.71) F10PRSS1TMPRSS2F2PLG
Otamixaban SCHEMBL12589586 0.91 F10 (1.00) F10PRSS1TMPRSS2F2PLG
Otamixaban SCHEMBL12447697 0.91 F10 (1.00) F10PRSS1TMPRSS2F2PLG
Otamixaban SCHEMBL29426323 0.91 F10 (1.00) F10PRSS1TMPRSS2F2PLG
Otamixaban SCHEMBL52983 0.91 F10 (1.00) F10PRSS1TMPRSS2F2PLG
Otamixaban SCHEMBL7890763 0.90 F10 (0.98) F10PRSS1TMPRSS2F2PLG
Otamixaban SCHEMBL16588897 0.90 F10 (0.98) F10PRSS1TMPRSS2F2PLG

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-2691371-A1 BENZOIC ACID SALT OF OTAMIXABAN SANOFI (FR) 2014-02-05 EP disclosed
WO-2012130821-A1 BENZOIC ACID SALT OF OTAMIXABAN SANOFI (FR) 2012-10-04 WO disclosed