SCHEMBL8947650

SCHEMBL8947650

CCOC(=O)CN(C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.72

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
Hydrochloric Acid SCHEMBL8947641 0.99 F2 (0.73) F2
SCHEMBL8947648 0.93 F2 (0.72) F2
SCHEMBL9004927 0.93 F2 (0.72) F2
Hydrochloric Acid SCHEMBL8947638 0.92 F2 (0.74) F2
SCHEMBL8947706 0.92 F2 (0.71) F2
Hydrochloric Acid SCHEMBL9168842 0.92 F2 (0.73) F2
SCHEMBL7300342 0.91 F2 (0.74) F2
Acetic Acid SCHEMBL8947692 0.91 F2 (0.70) F2
SCHEMBL8947952 0.91 F2 (0.70) F2
Hydrochloric Acid SCHEMBL8947934 0.90 F2 (0.71) 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