SCHEMBL2648548

SCHEMBL2648548

CCOC(=O)c1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSP90AA1 P07900 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
HTT P42858 1/20 0.49
GAA P10253 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GCGR P47871 1/20 0.47
SLC10A2 Q12908 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2648931 0.91 GCGR (0.61) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2648108 0.90 MAPT (0.45) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2648212 0.86 GCGR (0.62) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL2648083 0.85 MAPT (0.41) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL8949567 0.83 MAPT (0.69) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL3739958 0.77 MAPT (0.73) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2648227 0.77 GCGR (0.60) ALDH1A1GCGRSLC10A2L3MBTL1
SCHEMBL4464787 0.77 MAPT (0.51) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2647286 0.77 GCGR (0.79) GCGR
SCHEMBL2649452 0.77 HTT (0.46) MAPTMEN1KMT2AKDM4EHTT

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
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed