SCHEMBL8214593

SCHEMBL8214593

N=C(N)NCCCC(=O)NCCC[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.51
ITGA2B P08514 20/20 0.51

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
SCHEMBL7294189 0.92 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL8553717 0.89 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7285021 0.88 SIGMAR1 (0.44) ITGB3ITGA2B
SCHEMBL8619569 0.88 SIGMAR1 (0.44) ITGB3ITGA2B
SCHEMBL7334492 0.86 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL7295048 0.86 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL7286648 0.86 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7284719 0.85 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7315345 0.84 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7315330 0.84 ITGB3 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6020334-A Piperazinones, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
EP-0750913-A2 Disaccharide containing freeze-dried preparation for pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-02 EP disclosed