SCHEMBL8083520

SCHEMBL8083520

CC(C)C12CCC(c3ccc(C(=O)N[C@@H](CCCNC(=N)N)OBO)cc3)(CC1)CC2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
NPY4R P50391 2/20 0.31
NPY1R P25929 1/20 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
SCHEMBL8083517 0.94 ITGB3 (0.33) ITGB3ITGA2BNPY4RNPY1R
SCHEMBL8083531 0.90 NPY1R (0.31) ITGB3ITGA2BNPY4RNPY1R
SCHEMBL8090092 0.89 NPY4R (0.31) ITGB3ITGA2BNPY4RNPY1R
SCHEMBL8091550 0.89 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL8095180 0.88 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL8091591 0.88 SPHK1 (0.31) ITGB3ITGA2B
SCHEMBL8090211 0.87 CTSB (0.33)
SCHEMBL8091406 0.86 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8090090 0.83 NPY4R (0.32) ITGB3ITGA2BNPY4RNPY1R
SCHEMBL8091545 0.82 ITGB3 (0.31) 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