SCHEMBL8947916

SCHEMBL8947916

CCC(C(=O)O)N(C(=O)[C@H](CC(=O)NCC1CN(C(=N)N)CCO1)S(=O)(=O)c1ccc2ccccc2c1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.46

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
SCHEMBL8947908 0.88 F2 (0.36) F2
SCHEMBL7300396 0.87 F2 (0.49) F2
Hydrochloric Acid SCHEMBL8947545 0.86 F2 (0.49) F2
SCHEMBL8947905 0.85 F2 (0.39) F2
SCHEMBL8721721 0.82 F2 (0.52) F2
Hydrochloric Acid SCHEMBL8716871 0.80 F2 (0.50) F2
SCHEMBL8947808 0.80 F2 (0.44) F2
SCHEMBL7305824 0.80 F2 (0.44) F2
SCHEMBL8717108 0.78 F2 (0.43) F2
SCHEMBL7300388 0.75 F2 (0.39) 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-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US claimed