SCHEMBL8947591

SCHEMBL8947591

CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.60

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
SCHEMBL8947607 0.92 F2 (0.59) F2
Napsagatran Anhydrous SCHEMBL7294707 0.89 F2 (0.76) F2
Napsagatran Anhydrous SCHEMBL30693689 0.89 F2 (0.76) F2
Napsagatran Anhydrous SCHEMBL4427740 0.89 F2 (0.76) F2
Napsagatran Anhydrous SCHEMBL8947681 0.88 F2 (0.76) F2
Napsagatran Anhydrous SCHEMBL635609 0.88 F2 (0.75) F2
Napsagatran Anhydrous SCHEMBL8947631 0.88 F2 (0.76) F2
Napsagatran Anhydrous SCHEMBL8947800 0.88 F2 (0.76) F2
SCHEMBL8947603 0.87 F2 (0.52) F2
SCHEMBL7300991 0.87 F2 (0.75) 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