SCHEMBL2648338

SCHEMBL2648338

CCCC=Cc1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.46
SLC10A2 Q12908 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CSNK1D P48730 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 1/20 0.36
ADORA3 P0DMS8 2/20 0.36

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
SCHEMBL2649909 0.90 SLC10A2 (0.44) GCGRSLC10A2SMN1; SMN2ALDH1A1MAPT
SCHEMBL2647426 0.89 SLC10A2 (0.42) SLC10A2TRPM8SMN1; SMN2ALDH1A1MAPT
SCHEMBL2647427 0.89 SLC10A2 (0.42) SLC10A2TRPM8SMN1; SMN2ALDH1A1MAPT
SCHEMBL2649262 0.88 GCGR (0.50) GCGRSLC10A2ALDH1A1MAPTNPSR1
SCHEMBL2649264 0.88 GCGR (0.50) GCGRSLC10A2ALDH1A1MAPTNPSR1
SCHEMBL2649051 0.88 MAPT (0.45) SLC10A2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL2647508 0.88 SLC10A2 (0.45) GCGRSLC10A2SMN1; SMN2ALDH1A1MAPT
SCHEMBL2647505 0.88 SLC10A2 (0.45) GCGRSLC10A2SMN1; SMN2ALDH1A1MAPT
SCHEMBL2648214 0.86 MAPT (0.48) SLC10A2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL2648215 0.86 MAPT (0.48) SLC10A2SMN1; SMN2ALDH1A1MAPTGAA

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