SCHEMBL7306316

SCHEMBL7306316

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.51
ITGA2B P08514 13/20 0.51
FOLH1 Q04609 3/20 0.45
PRSS1 P07477 3/20 0.43
TMPRSS15 P98073 3/20 0.43
F10 P00742 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL7308419 0.94 ITGB3 (0.46) ITGB3ITGA2BFOLH1
SCHEMBL7305759 0.94 ITGB3 (0.54) ITGB3ITGA2BFOLH1F10
Trifluoroacetic Acid SCHEMBL9217427 0.89 ITGB3 (0.49) ITGB3ITGA2BFOLH1
SCHEMBL7332658 0.87 ITGB3 (0.52) ITGB3ITGA2BFOLH1PRSS1TMPRSS15
SCHEMBL7332549 0.85 FOLH1 (0.49) ITGB3ITGA2BFOLH1PRSS1TMPRSS15
SCHEMBL7338778 0.83 ITGB3 (0.46) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9104411 0.83 ITGB3 (0.69) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7299599 0.82 ITGB3 (0.51) ITGB3ITGA2BFOLH1PRSS1TMPRSS15
SCHEMBL9742835 0.82 ITGB3 (0.51) ITGB3ITGA2BFOLH1PRSS1TMPRSS15
SCHEMBL1710973 0.82 ITGB3 (0.48) 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