SCHEMBL8095175

SCHEMBL8095175

N=C(N)NCCCC(NC(=O)c1ccc(C23CCC(CC2)CC3)cc1)OBOC(CCCNC(=N)N)NC(=O)c1ccc(C23CCC(CC2)CC3)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.32
ITGA2B P08514 6/20 0.32
SPHK1 Q9NYA1 4/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRM1 Q13255 1/20 0.30
TPSAB1 Q15661 2/20 0.30
CXCR4 P61073 1/20 0.30

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
SCHEMBL8095180 0.93 ITGB3 (0.32) ITGB3ITGA2BSPHK1CHRNB2CHRNB4
SCHEMBL8091545 0.89 ITGB3 (0.31) ITGB3ITGA2B
SCHEMBL8090090 0.88 NPY4R (0.32) ITGB3ITGA2BSPHK1
SCHEMBL8083517 0.88 ITGB3 (0.33) ITGB3ITGA2BSPHK1
SCHEMBL8091403 0.87 ITGB3 (0.34) ITGB3ITGA2B
SCHEMBL8091585 0.86 SPHK1 (0.31) ITGB3ITGA2BSPHK1
SCHEMBL8097864 0.86 CTSB (0.35) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL8083531 0.83 NPY1R (0.31) ITGB3ITGA2B
SCHEMBL8091550 0.83 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL8090092 0.81 NPY4R (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