SCHEMBL8083531

SCHEMBL8083531

N=C(N)NCCC[C@H](NC(=O)c1ccc(C23CCC(O)(CC2)CC3)cc1)OBO

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.31
NPY4R P50391 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31

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
SCHEMBL8091550 0.91 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL8095180 0.90 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL8083520 0.90 ITGB3 (0.33) NPY1RNPY4RITGB3ITGA2B
SCHEMBL8090092 0.90 NPY4R (0.31) NPY1RNPY4RITGB3ITGA2B
SCHEMBL8083411 0.89 F10 (0.34)
SCHEMBL8091406 0.89 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8091591 0.88 SPHK1 (0.31) ITGB3ITGA2B
SCHEMBL8083498 0.86 CTSB (0.34)
SCHEMBL8091545 0.85 ITGB3 (0.31) ITGB3ITGA2B
SCHEMBL8095175 0.83 ITGB3 (0.32) 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
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed