SCHEMBL8926899

SCHEMBL8926899

N=C(N)N1CCC(CN(Cc2ccccc2)C(=O)C(CC(N)=O)NS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.55
F10 P00742 8/20 0.55
ST14 Q9Y5Y6 6/20 0.55
PLG P00747 6/20 0.55
PLAU P00749 6/20 0.55
HPN P05981 1/20 0.51
HGFAC Q04756 1/20 0.51
PLAT P00750 1/20 0.48

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
SCHEMBL8927592 0.90 F2 (0.57) F2F10ST14PLGPLAU
SCHEMBL8926165 0.88 F2 (0.51) F2F10ST14PLGPLAU
SCHEMBL8927390 0.87 F2 (0.54) F2F10ST14PLGPLAU
SCHEMBL8927588 0.85 F2 (0.56) F2F10ST14PLGPLAU
Hydrochloric Acid SCHEMBL8947724 0.84 F2 (0.59) F2F10ST14PLGPLAU
SCHEMBL8947777 0.84 F2 (0.59) F2F10ST14PLGPLAU
SCHEMBL7304953 0.81 F2 (0.51) F2F10ST14PLGPLAU
Hydrochloric Acid SCHEMBL8947713 0.81 F2 (0.51) F2F10ST14PLGPLAU
SCHEMBL8947796 0.81 F2 (0.63) F2
SCHEMBL8947725 0.80 F2 (0.63) 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 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