SCHEMBL8159130

SCHEMBL8159130

NCC(=O)N=C(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLG P00747 5/20 0.66
F10 P00742 3/20 0.66
PLAU P00749 2/20 0.66
F2 P00734 1/20 0.61
F12 P00748 1/20 0.57
KLKB1 P03952 1/20 0.57
PROC P04070 1/20 0.57

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
SCHEMBL7439785 0.86 PLG (0.83) PLGF10PLAUF12KLKB1
SCHEMBL7299377 0.85 F10 (0.64) PLGF10PLAUF2
SCHEMBL7440975 0.82 F2 (0.53) PLGF10PLAUF2
SCHEMBL27489065 0.80 PLG (0.67) PLGF10PLAUF2
Hydrochloric Acid SCHEMBL6793275 0.79 PLG (0.66) PLGF10PLAUF2
SCHEMBL8955008 0.79 PLG (0.77) PLGF10PLAUF2F12
SCHEMBL29651383 0.76 PLG (0.67) PLGF10PLAUF2F12
SCHEMBL8144360 0.76 PLG (0.67) PLGF10PLAUF2F12
SCHEMBL9189122 0.76 PLG (0.67) PLGF10PLAUF2F12
SCHEMBL29514928 0.76 PLG (0.67) PLGF10PLAUF2F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658585-B1 Aminophenylalanine derivatives, process for their production, their use and agents containing them as anti-coagulants STUEBER WERNER (DE) 2000-07-19 EP disclosed
EP-0513543-B1 Derivatives of amidinophenylalanine, procedure for their preparation, their utilisation and anticoagulant compositions comprising them. BEHRINGWERKE AG (DE) 1995-10-25 EP disclosed
EP-0658585-A2 Aminophenylalanine derivatives, process for their production, their use and agents containing them as anti-coagulants BEHRINGWERKE Aktiengesellschaft (DE) 1995-06-21 EP disclosed
US-5274098-A Amidinophenylalanine derivatives, process for their preparation, their use and compositions containing them BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
EP-0513543-A1 Derivatives of amidinophenylalanine, procedure for their preparation, their utilisation and anticoagulant compositions comprising them. BEHRINGWERKE Aktiengesellschaft (DE) 1992-11-19 EP disclosed