SCHEMBL2775520

SCHEMBL2775520

CC(C)[C@H](OC(N)=O)C(=O)N1CCC(OC2CCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.35
DPP4 P27487 4/20 0.35
DPP7 Q9UHL4 3/20 0.35
EPHX2 P34913 2/20 0.35
OPRK1 P41145 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
GPR119 Q8TDV5 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
Hydrochloric Acid SCHEMBL2774871 0.78 DPP4 (0.42) DPP4DPP7EPHX2
SCHEMBL2776630 0.74 SRD5A1 (0.46) EPHX2
SCHEMBL2777057 0.74 SRD5A1 (0.46) EPHX2
SCHEMBL12283148 0.73 GPR119 (0.50) PDE4BOPRK1GPR119
SCHEMBL28528054 0.73 CYP3A4 (0.44) ALDH1A1KMT2A
SCHEMBL2774798 0.72 CYP3A4 (0.45) DPP4KMT2A
SCHEMBL27425180 0.71 MEN1 (0.46) PDE4BEPHX2ALDH1A1MEN1KMT2A
SCHEMBL6522457 0.69 DPP4 (0.33) DPP4DPP7EPHX2ALDH1A1MEN1
SCHEMBL21448827 0.69 DPP7 (0.36) DPP4DPP7ALDH1A1
SCHEMBL18270916 0.69 DPP7 (0.36) DPP4DPP7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed