SCHEMBL7440975

SCHEMBL7440975

NC(=NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C[C@H](N)C(=O)N2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.53
PRSS1 P07477 5/20 0.53
F10 P00742 4/20 0.51
PLG P00747 3/20 0.51
PLAU P00749 1/20 0.51
PLAT P00750 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45

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
SCHEMBL6851934 0.86 F2 (0.50) F2PRSS1F10PLGPLAT
SCHEMBL9223678 0.85 F10 (0.51) F2F10PLGPLAU
SCHEMBL8159130 0.82 PLG (0.66) F2F10PLGPLAU
SCHEMBL7370483 0.82 F2 (0.47) F2PRSS1F10PLGPLAT
SCHEMBL9189122 0.77 PLG (0.67) F2PRSS1F10PLGPLAU
SCHEMBL29514928 0.77 PLG (0.67) F2PRSS1F10PLGPLAU
SCHEMBL872422 0.77 PLG (0.67) F2PRSS1F10PLGPLAU
SCHEMBL29651383 0.77 PLG (0.67) F2PRSS1F10PLGPLAU
SCHEMBL8144360 0.77 PLG (0.67) F2PRSS1F10PLGPLAU
SCHEMBL6790382 0.77 F2 (0.56) F2F10PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367713-B2 Antidote for blood anticoagulants based on factor VIII CIBA GEIGY AG (CH) 1995-01-04 EP claimed
EP-0367713-A1 Antidote for blood anticoagulants based on factor VIII CIBA-GEIGY AG (CH) 1990-05-09 EP claimed
EP-0722449-A1 BOROPEPTIDE INHIBITORS OF THROMBIN WHICH CONTAIN A SUBSTITUTED PYRROLIDINE RING THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-24 EP disclosed
WO-1995009859-A1 BOROPEPTIDE INHIBITORS OF THROMBIN WHICH CONTAIN A SUBSTITUTED PYRROLIDINE RING THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-13 WO disclosed
EP-0367713-B2 Antidote for blood anticoagulants based on factor VIII CIBA GEIGY AG (CH) 1995-01-04 EP disclosed
EP-0367713-A1 Antidote for blood anticoagulants based on factor VIII CIBA-GEIGY AG (CH) 1990-05-09 EP disclosed