SCHEMBL9215215

SCHEMBL9215215

CC(C)(C)OC(=O)C[C@H](NC(=O)CCCC(=O)Nc1ccc(C(=N)N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.52
ITGA2B P08514 7/20 0.52
TMPRSS6 Q8IU80 2/20 0.44
F2 P00734 1/20 0.43
F7 P08709 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
LTA4H P09960 1/20 0.42
REN P00797 1/20 0.42

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
Iodide SCHEMBL9215204 0.99 ITGB3 (0.51) ITGB3ITGA2BTMPRSS6F2F7
Iodide SCHEMBL9223621 0.90 MAPT (0.43) ITGB3ITGA2BKDM4EMAPTNPSR1
SCHEMBL7304706 0.86 ABCB1 (0.44) MAPTNPSR1MMP1MMP3MMP9
SCHEMBL7296817 0.86 MAPT (0.44) ITGB3ITGA2BF2MAPTTDP1
Iodide SCHEMBL9221941 0.85 CCKBR (0.43) ITGB3ITGA2BF2MAPTTDP1
Iodide SCHEMBL9217545 0.84 CCKBR (0.42) ITGB3ITGA2BF7MAPTTDP1
SCHEMBL9866104 0.83 MAPT (0.44) ITGB3ITGA2BF2KDM4EMAPT
SCHEMBL7321034 0.82 ITGB3 (0.52) ITGB3ITGA2BTMPRSS6F2
Iodide SCHEMBL9866079 0.82 MAPT (0.43) ITGB3ITGA2BF2KDM4EMAPT
SCHEMBL9215140 0.82 REN (0.47) F2MAPTNPSR1TDP1MMP1

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