SCHEMBL7405372

SCHEMBL7405372

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.54
F2 P00734 5/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
F10 P00742 18/20 0.53
PLG P00747 1/20 0.49
PROC P04070 1/20 0.49
KCNH2 Q12809 1/20 0.49

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) PRSS1F2PRSS2PRSS3F10
SCHEMBL7405631 0.92 PRSS1 (0.53) PRSS1F2PRSS2PRSS3F10
SCHEMBL7405195 0.91 PRSS1 (0.51) PRSS1F2PRSS2PRSS3F10
SCHEMBL7402318 0.91 F10 (0.53) PRSS1F2PRSS2PRSS3F10
SCHEMBL7407914 0.91 PRSS1 (0.52) PRSS1F2PRSS2PRSS3F10
SCHEMBL7408163 0.89 F10 (0.56) PRSS1F2PRSS2PRSS3F10
SCHEMBL7409644 0.86 F10 (0.59) PRSS1F2PRSS2PRSS3F10
SCHEMBL7398824 0.85 F10 (0.61) PRSS1F2PRSS2PRSS3F10
SCHEMBL7405473 0.84 F10 (0.57) PRSS1F2PRSS2PRSS3F10
SCHEMBL7406464 0.84 F10 (0.57) PRSS1F2PRSS2PRSS3F10

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