SCHEMBL7406124

SCHEMBL7406124

CCC(C)[C@H](C)Nc1cccc(C(=N)NO)c1.CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.43
F2 P00734 5/20 0.43
PRSS1 P07477 8/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
PLG P00747 1/20 0.38
PROC P04070 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
SCHEMBL7403786 0.92 F10 (0.50) F10F2PRSS1PRSS2PRSS3
SCHEMBL7402318 0.91 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL7402421 0.89 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL7405469 0.87 PRSS1 (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL7403864 0.84 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL7405726 0.84 F10 (0.59) F10F2PRSS1PRSS2PRSS3
SCHEMBL7405372 0.82 PRSS1 (0.54) F10F2PRSS1PRSS2PRSS3
SCHEMBL7401213 0.82 F10 (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL7408163 0.81 F10 (0.56) F10F2PRSS1PRSS2PRSS3
SCHEMBL6989579 0.79 PRSS1 (0.44) 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 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