SCHEMBL8090106

SCHEMBL8090106

COC12CCC(c3ccc(CC(=O)NC(CCCNC(=N)N)OBOC(CCCNC(=N)N)NC(=O)Cc4ccc(C56CCC(OC)(CC5)CC6)cc4)cc3)(CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.37
ITGA2B P08514 7/20 0.37
NPY4R P50391 8/20 0.34
NPY1R P25929 6/20 0.34
NPY5R Q15761 5/20 0.32
NPY2R P49146 3/20 0.32
KMT2A Q03164 2/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 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
SCHEMBL8090090 0.87 NPY4R (0.32) ITGB3ITGA2BNPY4RNPY1R
SCHEMBL8098021 0.87 ITGB3 (0.33) ITGB3ITGA2BKMT2A
SCHEMBL8091474 0.84 ADRA1D (0.40) KMT2AADRA1DADRA1A
SCHEMBL8090092 0.81 NPY4R (0.31) ITGB3ITGA2BNPY4RNPY1R
SCHEMBL8095067 0.79 NPY4R (0.32) NPY4RNPY1R
SCHEMBL8091469 0.79 ADRA1D (0.33) ITGB3ITGA2BKMT2AADRA1DADRA1A
SCHEMBL8091585 0.79 SPHK1 (0.31) ITGB3ITGA2B
SCHEMBL8083517 0.76 ITGB3 (0.33) ITGB3ITGA2BNPY4RNPY1R
SCHEMBL8091545 0.76 ITGB3 (0.31) ITGB3ITGA2B
SCHEMBL8095175 0.75 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