SCHEMBL9002936

SCHEMBL9002936

CC(=O)O/N=C(/CCC(=O)O)C(=O)NCCN(C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C=NN)C1)NS(=O)(=O)N1CCOCC1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.35
REN P00797 9/20 0.33
CTSD P07339 1/20 0.30
PGA5 P0DJD9 1/20 0.30
CTSE P14091 1/20 0.30

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
SCHEMBL9003136 0.91 F2 (0.36) F2REN
SCHEMBL7391240 0.87 F2 (0.41) F2RENCTSDPGA5CTSE
Acetic Acid SCHEMBL9002932 0.84 F2 (0.43) F2REN
SCHEMBL7389705 0.84 F2 (0.38) F2RENCTSDPGA5CTSE
SCHEMBL9003149 0.84 F2 (0.44) F2REN
SCHEMBL9003129 0.84 F2 (0.44) F2REN
Acetic Acid SCHEMBL9003161 0.82 F2 (0.37) F2REN
SCHEMBL7396514 0.82 F2 (0.41) F2REN
Acetic Acid SCHEMBL9002852 0.82 F2 (0.37) F2REN
Hydrochloric Acid SCHEMBL9002642 0.81 F2 (0.42) F2REN

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-5559232-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-09-24 US disclosed