SCHEMBL9169944

SCHEMBL9169944

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

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.55

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
SCHEMBL8947600 0.94 F2 (0.54) F2
Hydrochloric Acid SCHEMBL8947735 0.93 F2 (0.54) F2
Acetic Acid SCHEMBL8947565 0.89 F2 (0.53) F2
SCHEMBL8947671 0.89 F2 (0.53) F2
Hydrochloric Acid SCHEMBL8947789 0.88 F2 (0.61) F2
SCHEMBL7304156 0.88 F2 (0.59) F2
Hydrochloric Acid SCHEMBL8947627 0.88 F2 (0.61) F2
Hydrochloric Acid SCHEMBL8947676 0.88 F2 (0.61) F2
Acetic Acid SCHEMBL8947715 0.85 F2 (0.49) F2
SCHEMBL8947784 0.85 F2 (0.52) 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-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed