SCHEMBL2650698

SCHEMBL2650698

CCC/C=C/c1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccc(CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 1/20 0.43
HTT P42858 1/20 0.40
GCGR P47871 2/20 0.39
GAA P10253 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
THRB P10828 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL2649455 1.00 SLC10A2 (0.43) SLC10A2HTTGCGRGAAPOLB
SCHEMBL2647466 0.93 SLC10A2 (0.44) SLC10A2HTTGCGRGAAPOLB
SCHEMBL2647468 0.93 SLC10A2 (0.44) SLC10A2HTTGCGRGAAPOLB
SCHEMBL2647327 0.92 SLC10A2 (0.43) SLC10A2HTTGCGRGAAPOLB
SCHEMBL2648656 0.91 SLC10A2 (0.43) SLC10A2HTTGCGRGAAPOLB
SCHEMBL2648214 0.91 MAPT (0.48) SLC10A2HTTGAAALDH1A1MAPT
SCHEMBL2648651 0.91 SLC10A2 (0.43) SLC10A2HTTGCGRGAAPOLB
SCHEMBL2649264 0.91 GCGR (0.50) SLC10A2GCGRALDH1A1MAPTNPSR1
SCHEMBL2648215 0.91 MAPT (0.48) SLC10A2HTTGAAALDH1A1MAPT
SCHEMBL2649262 0.91 GCGR (0.50) SLC10A2GCGRALDH1A1MAPTNPSR1

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