SCHEMBL9002709

SCHEMBL9002709

N=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N(CCNC(=O)OCc2ccccc2)C2CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.51
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
REN P00797 4/20 0.39
PRSS1 P07477 1/20 0.38

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
SCHEMBL9002700 0.91 F2 (0.41) F2REN
SCHEMBL9002687 0.87 REN (0.40) F2REN
SCHEMBL8947670 0.85 F2 (0.66) F2
SCHEMBL9002623 0.84 F2 (0.51) F2
SCHEMBL7389704 0.84 F2 (0.47) F2REN
SCHEMBL7395449 0.84 F2 (0.50) F2REN
Acetic Acid SCHEMBL9002897 0.83 F2 (0.46) F2REN
SCHEMBL7396511 0.83 F2 (0.52) F2
Hydrochloric Acid SCHEMBL9002629 0.83 F2 (0.52) F2
Acetic Acid SCHEMBL9002844 0.83 F2 (0.48) 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