SCHEMBL8947685

SCHEMBL8947685

CCCCN(CCN)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=O)O)C1)NS(=O)(=O)c1ccc2ccccc2c1

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
SCHEMBL7333440 0.87 F2 (0.67) F2
Hydrochloric Acid SCHEMBL8947815 0.87 F2 (0.68) F2
Hydrochloric Acid SCHEMBL8947805 0.87 F2 (0.68) F2
SCHEMBL7324898 0.86 F2 (0.50) F2
Acetic Acid SCHEMBL8947657 0.86 F2 (0.66) F2
SCHEMBL7300146 0.86 F2 (0.67) F2
Hydrochloric Acid SCHEMBL8947544 0.84 F2 (0.71) F2
Hydrochloric Acid SCHEMBL8716931 0.84 F2 (0.71) F2
SCHEMBL7296054 0.83 F2 (0.52) F2
Acetic Acid SCHEMBL8947667 0.82 F2 (0.51) 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