SCHEMBL7310482

SCHEMBL7310482

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

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.71
ITGA2B P08514 16/20 0.71
ST14 Q9Y5Y6 1/20 0.56
F2 P00734 2/20 0.53
PLG P00747 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
C1S P09871 1/20 0.53
PRSS3 P35030 1/20 0.53
ATM Q13315 1/20 0.50
ITGB2 P05107 1/20 0.49
ITGAM P11215 1/20 0.49
TMPRSS6 Q8IU80 1/20 0.47

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
SCHEMBL8884227 0.93 ITGB3 (0.66) ITGB3ITGA2BST14F2PLG
SCHEMBL9394183 0.86 ITGB3 (0.68) ITGB3ITGA2BST14F2ITGB2
SCHEMBL7307289 0.85 ITGB3 (0.70) ITGB3ITGA2BST14ITGB2ITGAM
SCHEMBL7389300 0.83 ITGB3 (1.00) ITGB3ITGA2BST14
SCHEMBL7388492 0.82 ITGB3 (0.82) ITGB3ITGA2BST14F2PRSS1
SCHEMBL7390323 0.81 ITGB3 (0.76) ITGB3ITGA2BST14F2PRSS1
SCHEMBL7330005 0.81 ITGB3 (0.55) ITGB3ITGA2BST14F2PLG
SCHEMBL7347492 0.80 ITGB3 (1.00) ITGB3ITGA2BST14F2PRSS1
SCHEMBL7306809 0.79 ITGB3 (0.70) ITGB3ITGA2BPRSS1
SCHEMBL9394197 0.79 ITGB3 (0.62) ITGB3ITGA2BST14PRSS1ITGB2

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