SCHEMBL7076322

SCHEMBL7076322

CCCC(Oc1ccc2ccnc(N)c2c1)C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.51
F2 P00734 4/20 0.48
PRSS1 P07477 3/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48

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
SCHEMBL7079506 0.95 F10 (0.50) F10F2PRSS1PRSS2PRSS3
SCHEMBL7082839 0.93 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL7083090 0.91 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL7135037 0.91 F10 (0.48) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7080631 0.89 F10 (0.56) F10F2PRSS1PRSS2PRSS3
SCHEMBL7079992 0.86 F10 (0.44) F10F2PRSS1PRSS2PRSS3
SCHEMBL7075541 0.85 F10 (0.59) F10F2PRSS1PRSS2PRSS3
SCHEMBL7081749 0.85 F10 (0.42) F10F2PRSS1PRSS2PRSS3
SCHEMBL7075874 0.82 POLB (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL7080820 0.81 F10 (0.43) F10F2PRSS1PRSS2PRSS3

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 4 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
EP-1322618-A1 AMINO HETEROCYCLIC COMPOUNDS (FACTOR X A? INHIBITORS 14) MERCK PATENT GmbH (DE) 2003-07-02 EP disclosed
WO-2002024654-A1 AMINO HETEROCYCLIC COMPOUNDS (FACTOR XA INHIBITORS 14) MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed