SCHEMBL7409644

SCHEMBL7409644

CCC[C@H](C)Nc1cccc(C(=N)N)c1.NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.59
PRSS1 P07477 7/20 0.56
F2 P00734 2/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
KCNH2 Q12809 1/20 0.56
PLG P00747 1/20 0.56
PROC P04070 1/20 0.56

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
SCHEMBL7401264 0.93 PRSS1 (0.53) F10PRSS1F2PRSS2PRSS3
SCHEMBL7405473 0.92 F10 (0.57) F10PRSS1F2PRSS2PRSS3
SCHEMBL7407585 0.91 F10 (0.56) F10PRSS1F2PRSS2PRSS3
SCHEMBL7398824 0.90 F10 (0.61) F10PRSS1F2PRSS2PRSS3
SCHEMBL7405195 0.88 PRSS1 (0.51) F10PRSS1F2PRSS2PRSS3
SCHEMBL7405726 0.88 F10 (0.59) F10PRSS1F2PRSS2PRSS3
Bicarbonate SCHEMBL7405522 0.86 F10 (0.66) F10PRSS1F2PRSS2PRSS3
SCHEMBL7405372 0.86 PRSS1 (0.54) F10PRSS1F2PRSS2PRSS3
SCHEMBL7407914 0.85 PRSS1 (0.52) F10PRSS1F2PRSS2PRSS3
SCHEMBL7403864 0.84 F10 (0.51) 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
WO-2002030880-A2 N-SUBSTITUTED AMINO ACID DERIVATIVES (FACTOR XA INHIBITORS) MERCK PATENT GMBH (DE) 2002-04-18 WO claimed
WO-2002030880-A2 N-SUBSTITUTED AMINO ACID DERIVATIVES (FACTOR XA INHIBITORS) MERCK PATENT GMBH (DE) 2002-04-18 WO disclosed