SCHEMBL9225481

SCHEMBL9225481

C[C@H](NC(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CC(=O)O)CC1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.71
ITGA2B P08514 18/20 0.71
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL8377786 0.89 ITGB3 (0.57) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8377790 0.89 ITGB3 (0.57) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8379235 0.84 ITGB3 (0.73) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8379238 0.84 ITGB3 (0.73) ITGB3ITGA2BMEN1KMT2A
SCHEMBL9223584 0.83 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL7331297 0.83 ITGB3 (1.00) ITGB3ITGA2B
Iodide SCHEMBL9225689 0.82 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7296779 0.81 ITGB3 (0.54) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8647567 0.80 MEN1 (0.51) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8643669 0.80 ITGB3 (0.53) ITGB3ITGA2BMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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