SCHEMBL8947619

SCHEMBL8947619

CCOC(=O)NN=CN1CCO[C@@H](CNC(=O)CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.45

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
SCHEMBL7306798 0.95 F2 (0.45) F2
SCHEMBL7308142 0.92 F2 (0.46) F2
SCHEMBL8947639 0.90 F2 (0.55) F2
SCHEMBL8947615 0.87 F2 (0.49) F2
SCHEMBL8947771 0.84 F2 (0.51) F2
SCHEMBL9002668 0.83 CYP1A2 (0.40) F2
Trifluoroacetic Acid SCHEMBL8948194 0.82 F2 (0.46) F2
SCHEMBL8947603 0.82 F2 (0.52) F2
SCHEMBL7307422 0.81 F2 (0.55) F2
SCHEMBL8947709 0.81 F2 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed