SCHEMBL9215449

SCHEMBL9215449

CC(C)(C)OC(=O)NC(=N)c1ccc(C(=O)NCCC(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.45
ACE P12821 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KLK5 Q9Y337 2/20 0.40
KLK7 P49862 1/20 0.40
CCKBR P32239 1/20 0.39
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
NTSR1 P30989 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7308940 0.84 ACE (0.45) MAPTMAPK1POLBACE
SCHEMBL7304574 0.83 MAPT (0.52) MAPTMAPK1POLBACEKDM4E
SCHEMBL7299518 0.80 ACE (0.44) MAPTMAPK1POLBACE
SCHEMBL7309615 0.78 MAPT (0.56) MAPTMAPK1POLBACETDP1
SCHEMBL7305875 0.78 ACE (0.49) MAPTMAPK1POLBACE
SCHEMBL7294995 0.77 CTSS (0.56) ACEKLK5KLK7
SCHEMBL7331480 0.76 ITGB3 (0.42) MAPTKMT2A
SCHEMBL7296817 0.75 MAPT (0.44) MAPTPOLBACETDP1KLK5
Iodide SCHEMBL9221941 0.74 CCKBR (0.43) MAPTPOLBACETDP1KLK5
SCHEMBL9217707 0.73 SYK (0.46) MAPTMAPK1POLBACEKLK5

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
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed