SCHEMBL7403786

SCHEMBL7403786

CCC(C)C(C)Nc1cccc(C(=N)NO)c1.NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.50
PRSS1 P07477 7/20 0.49
F2 P00734 2/20 0.47
PLG P00747 1/20 0.46
PROC P04070 1/20 0.46
KCNH2 Q12809 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL7406124 0.92 F10 (0.43) F10PRSS1F2PLGPROC
SCHEMBL7405726 0.92 F10 (0.59) F10PRSS1F2PLGPROC
SCHEMBL7403864 0.92 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL7402318 0.85 F10 (0.53) F10PRSS1F2PLGPROC
SCHEMBL7402421 0.82 F10 (0.46) F10PRSS1F2PROCPRSS2
SCHEMBL7401213 0.81 F10 (0.40) F10PRSS1F2PLGPROC
SCHEMBL7405469 0.80 PRSS1 (0.43) F10PRSS1F2PLGPROC
SCHEMBL7403509 0.80 F10 (0.67) F10PRSS1F2PLGPROC
SCHEMBL7409644 0.80 F10 (0.59) F10PRSS1F2PLGPROC
SCHEMBL6996683 0.79 F10 (0.53) F10PRSS1F2PLGPROC

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
WO-2002030880-A2 N-SUBSTITUTED AMINO ACID DERIVATIVES (FACTOR XA INHIBITORS) MERCK PATENT GMBH (DE) 2002-04-18 WO disclosed