SCHEMBL12824976

SCHEMBL12824976

C=C(NCc1ccc(C(=N)N)cc1)[C@H](CO)NC(=O)[C@H](CCc1ccncc1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.52
F10 P00742 10/20 0.52
PLG P00747 8/20 0.52
KLKB1 P03952 2/20 0.52
PROC P04070 1/20 0.52
TMPRSS11D O60235 12/20 0.51
F11 P03951 1/20 0.47
TMPRSS2 O15393 2/20 0.45
PLAU P00749 1/20 0.44
HPN P05981 1/20 0.44
MASP2 O00187 1/20 0.43
TMPRSS6 Q8IU80 2/20 0.42

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
SCHEMBL8289959 0.94 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL8290743 0.94 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL8290996 0.94 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL8289804 0.94 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL8289968 0.90 F2 (0.52) F2F10PLGKLKB1PROC
SCHEMBL8290835 0.88 F2 (0.59) F2F10PLGKLKB1PROC
SCHEMBL8291003 0.88 F2 (0.64) F2F10PLGKLKB1PROC
SCHEMBL17366096 0.86 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL16843096 0.86 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL20117496 0.86 F2 (0.57) F2F10PLGKLKB1PROC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292640-A2 Base-substituted benzylamine analogs for use as coagulation factor Xa inhibitors, the production and use thereof The Medicines Company (Leipzig) GmbH (DE) 2011-03-09 EP disclosed