SCHEMBL8927494

SCHEMBL8927494

N=C(N)N1CCCC(CC(C(N)=O)C(NS(=O)(=O)c2cccc3ccccc23)C(=O)NC2CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.45
F10 P00742 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL8926247 0.83 CPN1 (0.37) F2F10MMP1MMP2MMP3
SCHEMBL8927498 0.82 F2 (0.42) F2F10
SCHEMBL8927392 0.82 F2 (0.42) F2
SCHEMBL8717237 0.82 F2 (0.61) F2
SCHEMBL7297918 0.72 F2 (0.56) F2
SCHEMBL8919776 0.72 F2 (0.56) F2
Hydrochloric Acid SCHEMBL8919868 0.71 F2 (0.81) F2
Hydrochloric Acid SCHEMBL7289522 0.71 F2 (0.81) F2
SCHEMBL8926218 0.69 F2 (0.42) F2F10
SCHEMBL8926802 0.68 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