SCHEMBL7438276

SCHEMBL7438276

CC(C)(C(=O)NCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)B(O)OS(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.38
PRSS1 P07477 2/20 0.38
PLG P00747 1/20 0.38
RIPK1 Q13546 1/20 0.34
BMP1 P13497 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
F7 P08709 1/20 0.33
CTSK P43235 1/20 0.33
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7432264 0.90 F2 (0.36) F2PRSS1PLGRIPK1BMP1
SCHEMBL7438271 0.86 F2 (0.43) F2PRSS1PLGRIPK1OPRK1
SCHEMBL7433686 0.85 F2 (0.46) F2PRSS1PLGRIPK1OPRK1
SCHEMBL7441617 0.82 CA2 (0.36) F2PRSS1PLGCA1CA2
SCHEMBL7441705 0.81 CA2 (0.35) F2PRSS1PLGCA1CA2
SCHEMBL7443029 0.81 CA2 (0.35) F2PRSS1PLGCA1CA2
SCHEMBL7441852 0.80 CA2 (0.34) F2PRSS1PLGCA1CA2
SCHEMBL7438416 0.77 F2 (0.36) F2PRSS1PLGCA1CA2
SCHEMBL7432257 0.76 F2 (0.40) F2PRSS1PLGRIPK1KMT2A
SCHEMBL8098103 0.76 RIPK1 (0.51) RIPK1OPRK1KMT2AMEN1MMP8

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
US-5814622-A COMPOUND USEFUL AS TRYPSIN LIKE SERINE PROTEASE AS THROMBIN INHIBITORS ADIR ET COMPAGNIE (FR) 1998-09-29 US disclosed