SCHEMBL7307289

SCHEMBL7307289

N=C(N)c1ccc(C(=O)NCCC(=O)NCCC(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.70
ITGA2B P08514 13/20 0.70
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MAPK1 P28482 1/20 0.51
ST14 Q9Y5Y6 1/20 0.51
ITGB2 P05107 1/20 0.51
ITGAM P11215 1/20 0.51
F10 P00742 1/20 0.49
TPSAB1 Q15661 1/20 0.49

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
SCHEMBL7306809 0.93 ITGB3 (0.70) ITGB3ITGA2BCA1CA2MAPK1
SCHEMBL7304969 0.92 ITGB3 (0.72) ITGB3ITGA2BMAPK1
SCHEMBL8407980 0.89 F10 (0.60) ITGB3ITGA2BCA1CA2MAPK1
SCHEMBL9335890 0.85 ITGB3 (0.71) ITGB3ITGA2BCA1CA2ST14
SCHEMBL9335737 0.85 TPSAB1 (0.67) ITGB3ITGA2BCA1CA2ST14
SCHEMBL7310482 0.85 ITGB3 (0.71) ITGB3ITGA2BST14ITGB2ITGAM
SCHEMBL7388492 0.84 ITGB3 (0.82) ITGB3ITGA2BST14
SCHEMBL9394183 0.83 ITGB3 (0.68) ITGB3ITGA2BST14ITGB2ITGAM
SCHEMBL7347492 0.82 ITGB3 (1.00) ITGB3ITGA2BST14
SCHEMBL2344986 0.82 ITGB3 (0.56) ITGB3ITGA2BCA1CA2ST14

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