SCHEMBL8716837

SCHEMBL8716837

N=C(N)N1CCC(CNC(=O)CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NCc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.66
F10 P00742 2/20 0.55
PLG P00747 1/20 0.55
PLAU P00749 1/20 0.55
ST14 Q9Y5Y6 1/20 0.55

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
SCHEMBL8993009 0.92 F2 (0.79) F2
SCHEMBL8993075 0.92 F2 (0.79) F2
SCHEMBL8993082 0.92 F2 (0.79) F2
Hydrochloric Acid SCHEMBL8918114 0.91 F2 (0.81) F2
Hydrochloric Acid SCHEMBL7291615 0.91 F2 (0.81) F2
SCHEMBL8717274 0.90 F2 (0.72) F2
SCHEMBL8717349 0.89 F2 (0.65) F2F10PLGPLAUST14
SCHEMBL8717257 0.88 F2 (0.63) F2
Hydrochloric Acid SCHEMBL8720109 0.88 F2 (0.60) F2F10PLGPLAUST14
Trifluoroacetic Acid SCHEMBL7299224 0.88 F2 (0.75) 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