SCHEMBL8927592

SCHEMBL8927592

N=C(N)N1CCC(CN(CC2CCCCC2)C(=O)C(CC(N)=O)NS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.57
F10 P00742 2/20 0.53
PLG P00747 2/20 0.53
PLAU P00749 2/20 0.53
ST14 Q9Y5Y6 2/20 0.53

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
SCHEMBL8927588 0.91 F2 (0.56) F2F10PLGPLAUST14
SCHEMBL8926899 0.90 F2 (0.55) F2F10PLGPLAUST14
SCHEMBL8926165 0.90 F2 (0.51) F2F10PLGPLAUST14
SCHEMBL8927390 0.88 F2 (0.54) F2F10PLGPLAUST14
SCHEMBL8947796 0.87 F2 (0.63) F2
SCHEMBL8947725 0.86 F2 (0.63) F2
Hydrochloric Acid SCHEMBL8947751 0.86 F2 (0.64) F2
SCHEMBL7306679 0.84 F2 (0.52) F2F10PLG
Hydrochloric Acid SCHEMBL8947737 0.84 F2 (0.52) F2F10PLG
SCHEMBL7303258 0.84 F2 (0.51) F2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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