SCHEMBL1128310

SCHEMBL1128310

CC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(C5(C)N=NN=N5)cc4)ncnc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.72
CYP2C9 P11712 1/20 0.49
NR3C1 P04150 2/20 0.48
GPR119 Q8TDV5 8/20 0.45
PIK3CA P42336 4/20 0.43
MTOR P42345 4/20 0.43
PIK3CG P48736 3/20 0.43
ATR Q13535 2/20 0.43
AURKB Q96GD4 1/20 0.43
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
BACE1 P56817 1/20 0.41
SRC P12931 1/20 0.40

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
SCHEMBL1128367 0.89 CYP3A4 (0.57) CYP3A4CYP2C9NR3C1GPR119PIK3CA
SCHEMBL2020756 0.88 CYP3A4 (0.79) CYP3A4CYP2C9NR3C1GPR119PIK3CA
SCHEMBL1128343 0.87 CYP3A4 (0.81) CYP3A4CYP2C9NR3C1GPR119PIK3CA
SCHEMBL1128290 0.86 CYP3A4 (0.79) CYP3A4CYP2C9NR3C1GPR119PIK3CA
SCHEMBL2016500 0.86 CYP3A4 (0.79) CYP3A4CYP2C9NR3C1GPR119PIK3CA
SCHEMBL1128336 0.86 CYP3A4 (0.79) CYP3A4CYP2C9NR3C1GPR119PIK3CA
SCHEMBL1128622 0.85 CYP3A4 (0.78) CYP3A4CYP2C9NR3C1GPR119PIK3CA
SCHEMBL1128233 0.85 CYP3A4 (0.78) CYP3A4CYP2C9NR3C1GPR119PIK3CA
SCHEMBL1128574 0.85 CYP3A4 (0.77) CYP3A4CYP2C9NR3C1GPR119PIK3CA
SCHEMBL2018829 0.85 CYP3A4 (0.75) CYP3A4CYP2C9NR3C1GPR119PIK3CA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP claimed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO claimed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed