SCHEMBL7079992

SCHEMBL7079992

CCCC(Oc1cccc2c(N)nccc12)C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.44
RIPK1 Q13546 8/20 0.42
PRSS1 P07477 3/20 0.40
F2 P00734 3/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
F9 P00740 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
SCHEMBL7080820 0.95 F10 (0.43) F10RIPK1PRSS1F2PRSS2
SCHEMBL7076322 0.86 F10 (0.51) F10PRSS1F2PRSS2PRSS3
SCHEMBL7079506 0.81 F10 (0.50) F10PRSS1F2PRSS2PRSS3
SCHEMBL7082839 0.79 F10 (0.53) F10PRSS1F2PRSS2PRSS3
SCHEMBL7083090 0.77 F10 (0.51) F10PRSS1F2PRSS2PRSS3
SCHEMBL7135037 0.77 F10 (0.48) F10PRSS1F2PRSS2PRSS3
SCHEMBL7007614 0.76 F10 (0.65) F10PRSS1F2PRSS2PRSS3
SCHEMBL7006420 0.76 F10 (0.65) F10PRSS1F2PRSS2PRSS3
SCHEMBL7081749 0.76 F10 (0.42) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7080631 0.75 F10 (0.56) F10PRSS1F2PRSS2PRSS3

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 disclosed
WO-2002024654-A1 AMINO HETEROCYCLIC COMPOUNDS (FACTOR XA INHIBITORS 14) MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed