SCHEMBL2648931

SCHEMBL2648931

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.61
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
CRHBP P24387 1/20 0.48
KMT2A Q03164 1/20 0.48
CRHR2 Q13324 1/20 0.48
SLC10A2 Q12908 1/20 0.43

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
SCHEMBL2648548 0.91 MAPT (0.51) GCGRKDM4EMEN1HSP90AA1MAPT
SCHEMBL2647286 0.88 GCGR (0.79) GCGR
SCHEMBL2648108 0.84 MAPT (0.45) GCGRKDM4EMEN1HSP90AA1MAPT
SCHEMBL2648932 0.81 GCGR (0.48) GCGRMAPT
SCHEMBL2649345 0.80 GCGR (0.67) GCGRKDM4EMAPTSLC10A2
SCHEMBL2648083 0.80 MAPT (0.41) GCGRKDM4EMEN1HSP90AA1MAPT
SCHEMBL2648313 0.79 GCGR (0.65) GCGR
SCHEMBL9268564 0.78 GCGR (0.64) GCGR
SCHEMBL2648212 0.78 GCGR (0.62) GCGRKDM4EMEN1MAPTKMT2A
SCHEMBL2648326 0.77 GCGR (0.66) GCGRMEN1MAPTKMT2ASLC10A2

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