SCHEMBL7404200

SCHEMBL7404200

N=C(N)c1cccc(N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.71
PRSS1 P07477 12/20 0.58
PRSS2 P07478 5/20 0.57
PRSS3 P35030 5/20 0.57
PLG P00747 1/20 0.57
PROC P04070 1/20 0.57
F2 P00734 3/20 0.55
F9 P00740 1/20 0.54

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
SCHEMBL7409027 0.92 F10 (0.60) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7407377 0.91 F10 (0.70) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7403002 0.87 F10 (0.67) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7406411 0.87 F10 (0.66) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7403509 0.85 F10 (0.67) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7405018 0.85 F10 (0.64) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7409400 0.85 F10 (0.62) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7405733 0.85 F10 (0.66) F10PRSS1PRSS2PRSS3PLG
Bicarbonate SCHEMBL7405522 0.84 F10 (0.66) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7406662 0.83 F10 (0.59) F10PRSS1PRSS2PRSS3PLG

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