SCHEMBL7133162

SCHEMBL7133162

Nc1nccc2ccc(OCC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.64
PRSS1 P07477 6/20 0.62
F2 P00734 4/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59

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
SCHEMBL7455654 0.85 F10 (0.62) F10PRSS1F2PRSS2PRSS3
SCHEMBL7475336 0.84 F10 (0.63) F10PRSS1F2PRSS2PRSS3
SCHEMBL7476586 0.81 F10 (0.57) F10PRSS1F2PRSS2PRSS3
SCHEMBL7482436 0.81 F10 (0.57) F10PRSS1F2PRSS2PRSS3
SCHEMBL7472782 0.81 F10 (0.57) F10PRSS1F2PRSS2PRSS3
SCHEMBL7476896 0.80 F10 (0.79) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7080631 0.79 F10 (0.56) F10PRSS1F2PRSS2PRSS3
SCHEMBL7453349 0.79 F10 (0.78) F10PRSS1F2PRSS2PRSS3
SCHEMBL7684163 0.79 F10 (0.78) F10PRSS1F2PRSS2PRSS3
SCHEMBL890894 0.78 F10 (1.00) F10PRSS1F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322618-A1 AMINO HETEROCYCLIC COMPOUNDS (FACTOR X A? INHIBITORS 14) MERCK PATENT GmbH (DE) 2003-07-02 EP claimed
WO-2002024654-A1 AMINO HETEROCYCLIC COMPOUNDS (FACTOR XA INHIBITORS 14) MERCK PATENT GMBH (DE) 2002-03-28 WO claimed