SCHEMBL7303040

SCHEMBL7303040

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.55
ITGA2B P08514 9/20 0.55
PTPN1 P18031 2/20 0.50
FOLH1 Q04609 5/20 0.49
EPHX2 P34913 1/20 0.48
F10 P00742 1/20 0.48

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
SCHEMBL9742835 0.93 ITGB3 (0.51) ITGB3ITGA2BPTPN1FOLH1F10
SCHEMBL7299599 0.93 ITGB3 (0.51) ITGB3ITGA2BPTPN1FOLH1F10
Trifluoroacetic Acid SCHEMBL3040708 0.89 ITGB3 (0.50) ITGB3ITGA2BPTPN1
SCHEMBL7327332 0.89 ITGB3 (0.48) ITGB3ITGA2BPTPN1FOLH1F10
SCHEMBL7438806 0.88 ITGB3 (0.71) ITGB3ITGA2BPTPN1
SCHEMBL7321414 0.88 EPHX2 (0.54) ITGB3ITGA2BPTPN1EPHX2
SCHEMBL7336239 0.87 ITGB3 (0.59) ITGB3ITGA2BFOLH1F10
Hydrochloric Acid SCHEMBL9435247 0.87 ITGB3 (0.70) ITGB3ITGA2BPTPN1
SCHEMBL9103107 0.87 ITGB3 (0.70) ITGB3ITGA2BPTPN1
SCHEMBL9098464 0.87 ITGB3 (0.67) ITGB3ITGA2BPTPN1

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 7 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
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 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