SCHEMBL8720073

SCHEMBL8720073

CC(C(=O)O[C@H]1CCCN(C(=N)N)C1)N(Cc1cccc(Cl)c1)C(=O)[C@H](CC(N)=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.49
F10 P00742 4/20 0.47
PLAU P00749 2/20 0.47
PLG P00747 1/20 0.46

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
SCHEMBL8716811 0.94 F2 (0.49) F2F10
SCHEMBL8716423 0.90 F2 (0.48) F2
SCHEMBL8717116 0.88 F2 (0.53) F2
SCHEMBL8719725 0.87 F2 (0.54) F2
SCHEMBL8720144 0.87 F2 (0.54) F2
SCHEMBL8393284 0.85 F2 (0.52) F2
SCHEMBL8717105 0.84 F2 (0.53) F2F10
Acetic Acid SCHEMBL8719850 0.81 F2 (0.50) F2F10PLAU
Acetic Acid SCHEMBL8717154 0.81 F2 (0.51) F2
SCHEMBL7298620 0.79 F2 (0.61) F2

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
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