SCHEMBL8719565

SCHEMBL8719565

O=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(CCc1nnn[nH]1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.43
F10 P00742 2/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 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
SCHEMBL7324374 0.89 F2 (0.41) F2F10PLGPLATPRSS1
SCHEMBL8721819 0.82 F2 (0.66) F2
SCHEMBL8947625 0.81 F2 (0.48) F2
SCHEMBL8717200 0.81 F2 (0.49) F2F10PLGPLATPRSS1
SCHEMBL8947778 0.81 F2 (0.41) F2
SCHEMBL8947774 0.81 F2 (0.41) F2
SCHEMBL8717144 0.80 F10 (0.49) F2F10
SCHEMBL8717159 0.80 F2 (0.46) F2F10PLGPLATPRSS1
SCHEMBL8719946 0.77 F2 (0.46) F2F10PLGPLATPRSS1
SCHEMBL8716563 0.77 F2 (0.46) F2F10PLGPLATPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed