SCHEMBL2648932

SCHEMBL2648932

CCOC(=O)c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.48
LDHA P00338 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2662913 0.86 GCGR (0.65) GCGR
SCHEMBL2648110 0.84 LDHA (0.40) LDHAALDH1A1L3MBTL1MAPT
SCHEMBL2648931 0.81 GCGR (0.61) GCGRMAPT
SCHEMBL2648085 0.81 LDHA (0.37) LDHAALDH1A1L3MBTL1MAPT
SCHEMBL2649941 0.81 GCGR (0.73) GCGR
SCHEMBL11010734 0.77 ALDH1A1 (0.60) LDHAALDH1A1L3MBTL1MAPT
SCHEMBL2647286 0.77 GCGR (0.79) GCGR
SCHEMBL10746812 0.74 ALDH1A1 (0.53) LDHAALDH1A1L3MBTL1MAPT
SCHEMBL2647828 0.74 MAPT (0.46) ALDH1A1L3MBTL1MAPT
SCHEMBL2648375 0.73 MAPT (0.43) ALDH1A1L3MBTL1MAPT

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