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SCHEMBL9003129

SCHEMBL9003129

N=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N(CCNC(=O)/C(CCC(=O)O)=N\O)C2CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.44
▸ REN P00797 1/20 0.31

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
SCHEMBL9003149 1.00 F2 (0.44) F2REN
Acetic Acid SCHEMBL9002932 0.98 F2 (0.43) F2REN
SCHEMBL9002945 0.91 F2 (0.42) F2
SCHEMBL9003136 0.91 F2 (0.36) F2REN
SCHEMBL9002623 0.90 F2 (0.51) F2
SCHEMBL7395449 0.85 F2 (0.50) F2REN
SCHEMBL7396511 0.84 F2 (0.52) F2
Hydrochloric Acid SCHEMBL9002629 0.84 F2 (0.52) F2
Acetic Acid SCHEMBL9002844 0.84 F2 (0.48) F2REN
SCHEMBL7389704 0.84 F2 (0.47) 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