SCHEMBL13744972

SCHEMBL13744972

CCC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.61
ITGA2B P08514 19/20 0.61
F7 P08709 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
SCHEMBL13716640 0.92 ITGB3 (0.64) ITGB3ITGA2BF7
SCHEMBL13744829 0.88 ITGB3 (0.65) ITGB3ITGA2BF7
SCHEMBL7321771 0.86 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL13717015 0.86 ITGB3 (0.63) ITGB3ITGA2BF7
SCHEMBL13716969 0.85 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7304352 0.83 ITGB3 (0.66) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7308865 0.81 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL14340958 0.81 ITGB3 (0.55) ITGB3ITGA2BF7
SCHEMBL7307665 0.80 ITGB3 (0.60) ITGB3ITGA2BF7
SCHEMBL13716879 0.80 ITGB3 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576071-B2 Antithrombotic compound SANOFI-AVENTIS (FR) 2009-08-18 US disclosed