SCHEMBL7330638

SCHEMBL7330638

C[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(=O)N1CCN(CC(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.69
ITGA2B P08514 18/20 0.69

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
SCHEMBL9223672 0.85 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL9217451 0.82 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7331297 0.81 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL8648337 0.81 ITGB3 (0.65) ITGB3ITGA2B
Iodide SCHEMBL9225689 0.81 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL8692845 0.80 ITGB3 (0.74) ITGB3ITGA2B
Ro-44-3888 SCHEMBL7284509 0.79 ITGB3 (1.00) ITGB3ITGA2B
Ro-44-3888 SCHEMBL7283142 0.79 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL8648608 0.79 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL8693074 0.79 ITGB3 (0.72) ITGB3ITGA2B

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 3 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 disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed