SCHEMBL2647508

SCHEMBL2647508

CCCC=Cc1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 1/20 0.45
GCGR P47871 5/20 0.45
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
THRB P10828 2/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL2647505 1.00 SLC10A2 (0.45) SLC10A2GCGRHTTALDH1A1GAA
SCHEMBL2649262 0.89 GCGR (0.50) SLC10A2GCGRALDH1A1MAPTNPSR1
SCHEMBL2649264 0.89 GCGR (0.50) SLC10A2GCGRALDH1A1MAPTNPSR1
SCHEMBL2648338 0.88 GCGR (0.46) SLC10A2GCGRHTTALDH1A1GAA
SCHEMBL2648651 0.87 SLC10A2 (0.43) SLC10A2GCGRHTTALDH1A1GAA
SCHEMBL2648656 0.87 SLC10A2 (0.43) SLC10A2GCGRHTTALDH1A1GAA
SCHEMBL2647468 0.87 SLC10A2 (0.44) SLC10A2GCGRHTTALDH1A1GAA
SCHEMBL2647466 0.87 SLC10A2 (0.44) SLC10A2GCGRHTTALDH1A1GAA
SCHEMBL2649455 0.86 SLC10A2 (0.43) SLC10A2GCGRHTTALDH1A1GAA
SCHEMBL2647327 0.86 SLC10A2 (0.43) SLC10A2GCGRHTTALDH1A1GAA

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