SCHEMBL2649396

SCHEMBL2649396

CCCC=Cc1c(C)nc(C(C)C)c(C(=O)OCC)c1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.47
SLC10A2 Q12908 1/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
CACNB4 O00305 2/20 0.40
CACNA1A O00555 2/20 0.40
CACNA1G O43497 2/20 0.40
CACNG3 O60359 2/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1H O95180 2/20 0.40
ACHE P22303 2/20 0.40
CACNB3 P54284 2/20 0.40

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
SCHEMBL2649395 1.00 GCGR (0.47) GCGRSLC10A2ALDH1A1L3MBTL1HTT
SCHEMBL2649262 0.93 GCGR (0.50) GCGRSLC10A2ALDH1A1MAPTNPSR1
SCHEMBL2649264 0.93 GCGR (0.50) GCGRSLC10A2ALDH1A1MAPTNPSR1
SCHEMBL2647468 0.85 SLC10A2 (0.44) GCGRSLC10A2ALDH1A1HTTMAPT
SCHEMBL2647466 0.85 SLC10A2 (0.44) GCGRSLC10A2ALDH1A1HTTMAPT
SCHEMBL2650698 0.84 SLC10A2 (0.43) GCGRSLC10A2ALDH1A1L3MBTL1HTT
SCHEMBL2649455 0.84 SLC10A2 (0.43) GCGRSLC10A2ALDH1A1L3MBTL1HTT
SCHEMBL2647327 0.84 SLC10A2 (0.43) GCGRSLC10A2ALDH1A1L3MBTL1HTT
SCHEMBL2648214 0.83 MAPT (0.48) SLC10A2ALDH1A1HTTMAPTNPSR1
SCHEMBL2648215 0.83 MAPT (0.48) SLC10A2ALDH1A1HTTMAPTNPSR1

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