SCHEMBL8719586

SCHEMBL8719586

CCOC(=O)C(C)([C@H]1CCCN(C(=N)N)C1)N(C(=O)[C@H](CC(N)=O)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.53
F10 P00742 1/20 0.46
PLAU P00749 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
SCHEMBL8393193 0.97 F2 (0.54) F2
Acetic Acid SCHEMBL8716452 0.95 F2 (0.53) F2
Acetic Acid SCHEMBL8717194 0.93 F2 (0.52) F2F10PLAU
Hydrochloric Acid SCHEMBL8716479 0.90 F2 (0.56) F2
Hydrochloric Acid SCHEMBL8716455 0.90 F2 (0.56) F2
Hydrochloric Acid SCHEMBL8716488 0.87 F2 (0.56) F2
Hydrochloric Acid SCHEMBL8719967 0.87 F2 (0.55) F2PLAU
Acetic Acid SCHEMBL8927496 0.81 F2 (0.49) F2F10PLAU
Acetic Acid SCHEMBL8721840 0.80 F2 (0.51) F2F10PLAU
SCHEMBL8717105 0.80 F2 (0.53) F2F10

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