SCHEMBL8596805

SCHEMBL8596805

CC(C)(C)c1ccc(C2C(CN3CCC(OC(=O)O)CC3)OC(=O)N2C2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.37
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
NPC1 O15118 1/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
ERBB2 P04626 1/20 0.32
FYN P06241 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
ABCB1 P08183 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL8646032 0.90 HRH3 (0.41) HRH3ITGB3ITGA2BF10MGLL
SCHEMBL8356607 0.89 HRH3 (0.36) HRH3ITGB3ITGA2BF10RORC
SCHEMBL8592105 0.89 HRH3 (0.39) HRH3ITGB3ITGA2BDRD2HRH1
SCHEMBL8595508 0.85 HRH3 (0.44) HRH3ITGB3ITGA2BHRH1KCNH2
SCHEMBL8553468 0.83 HRH3 (0.41) HRH3ITGB3ITGA2BHRH1KCNH2
SCHEMBL8592389 0.80 HRH3 (0.38) HRH3ITGB3ITGA2BCHRM3DRD4
SCHEMBL8592465 0.80 HRH3 (0.38) HRH3ITGB3ITGA2BCHRM3
SCHEMBL8357014 0.79 LSS (0.39) ITGB3ITGA2BF10
SCHEMBL8349143 0.78 NOTUM (0.41) HRH3ITGB3ITGA2BDRD2HRH1
SCHEMBL8352050 0.78 ALDH1A1 (0.35) HRH3ITGB3ITGA2BLMNAF10

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-0839147-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-05-06 EP disclosed
WO-1997003072-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-01-30 WO disclosed