SCHEMBL7307665

SCHEMBL7307665

N=C(N)c1ccc(NC(=O)CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.60
ITGA2B P08514 11/20 0.60
F7 P08709 1/20 0.48
PRSS1 P07477 6/20 0.47
TMPRSS15 P98073 6/20 0.47
F9 P00740 1/20 0.46

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
SCHEMBL7321771 0.93 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7304352 0.91 ITGB3 (0.66) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7308865 0.87 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7325178 0.86 ITGB3 (0.53) ITGB3ITGA2BF7PRSS1TMPRSS15
SCHEMBL13744829 0.85 ITGB3 (0.65) ITGB3ITGA2BF7
SCHEMBL9098464 0.83 ITGB3 (0.67) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9335719 0.82 ITGB3 (0.55) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL13716640 0.82 ITGB3 (0.64) ITGB3ITGA2BF7
SCHEMBL7331831 0.82 ITGB3 (0.49) ITGB3ITGA2BF7
SCHEMBL7438806 0.82 ITGB3 (0.71) ITGB3ITGA2BPRSS1TMPRSS15

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP claimed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP claimed
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
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
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed