SCHEMBL9558456

SCHEMBL9558456

CN(C(=O)CCC(=O)NC(CC(=O)O)c1ccccc1)c1ccc(C(=N)N)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.69
ITGA2B P08514 20/20 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
SCHEMBL9559116 0.89 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL9558964 0.88 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL6983954 0.81 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL7178442 0.81 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL9558932 0.80 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL9559169 0.79 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7307055 0.78 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7384201 0.77 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7389454 0.75 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL8886356 0.74 ITGB3 (0.59) 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-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed