SCHEMBL8993082

SCHEMBL8993082

N=C(N)N1CCC[C@@H](CNC(=O)C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NCc2ccccc2)C1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.79

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
SCHEMBL8993075 1.00 F2 (0.79) F2
SCHEMBL8993009 1.00 F2 (0.79) F2
Hydrochloric Acid SCHEMBL7291615 0.99 F2 (0.81) F2
Hydrochloric Acid SCHEMBL8918114 0.99 F2 (0.81) F2
Trifluoroacetic Acid SCHEMBL7299224 0.96 F2 (0.75) F2
SCHEMBL9003195 0.92 F2 (0.79) F2
SCHEMBL8716837 0.92 F2 (0.66) F2
SCHEMBL7306955 0.91 F2 (0.79) F2
SCHEMBL7389448 0.90 F2 (0.77) F2
Hydrochloric Acid SCHEMBL9002778 0.89 F2 (0.77) 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-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US claimed