SCHEMBL8927392

SCHEMBL8927392

N=C(N)N1CCCC(CC(C(N)=O)C(NS(=O)(=O)c2cccnc2)C(=O)NC2CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.42
ALDH1A1 P00352 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL8927498 0.83 F2 (0.42) F2
SCHEMBL8927494 0.82 F2 (0.45) F2
SCHEMBL8716988 0.81 F2 (0.58) F2
SCHEMBL8926247 0.80 CPN1 (0.37) F2
SCHEMBL8926218 0.70 F2 (0.42) F2SLC1A2
SCHEMBL8947691 0.69 F2 (0.55) F2
SCHEMBL8927436 0.67 F2 (0.41) F2
SCHEMBL8717139 0.67 F2 (0.46) F2
SCHEMBL8719964 0.66 F2 (0.59) F2
SCHEMBL8926802 0.66 F2 (0.52) 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