SCHEMBL1128367

SCHEMBL1128367

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
GPR119 Q8TDV5 13/20 0.45
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 0.42
PIK3CA P42336 3/20 0.41
MTOR P42345 3/20 0.41
PIK3CG P48736 2/20 0.40
ATR Q13535 1/20 0.40
NR3C1 P04150 2/20 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
SCHEMBL1128310 0.89 CYP3A4 (0.72) CYP3A4GPR119CYP2C9PIK3CAMTOR
SCHEMBL2019853 0.86 CYP3A4 (0.61) CYP3A4GPR119CYP2C9KCNH2PIK3CA
SCHEMBL1128724 0.86 CYP3A4 (0.61) CYP3A4GPR119CYP2C9KCNH2PIK3CA
SCHEMBL1128407 0.84 CYP3A4 (0.79) CYP3A4GPR119CYP2C9KCNH2
SCHEMBL1128465 0.84 CYP3A4 (0.59) CYP3A4GPR119CYP2C9KCNH2PIK3CA
SCHEMBL2016396 0.83 CYP3A4 (0.57) CYP3A4GPR119CYP2C9KCNH2PIK3CA
SCHEMBL2017035 0.81 CYP3A4 (0.55) CYP3A4GPR119CYP2C9KCNH2PIK3CA
SCHEMBL4357368 0.80 CYP3A4 (0.54) CYP3A4GPR119CYP2C9KCNH2PIK3CA
SCHEMBL2021684 0.80 CYP3A4 (0.54) CYP3A4GPR119CYP2C9KCNH2PIK3CA
SCHEMBL2016691 0.80 CYP3A4 (0.54) CYP3A4GPR119CYP2C9KCNH2PIK3CA

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