SCHEMBL2648083

SCHEMBL2648083

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
SLC10A2 Q12908 1/20 0.41
GCGR P47871 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MLYCD O95822 2/20 0.38
PTPN1 P18031 1/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL2649264 0.89 GCGR (0.50) MAPTMEN1KMT2ASLC10A2GCGR
SCHEMBL2649262 0.89 GCGR (0.50) MAPTMEN1KMT2ASLC10A2GCGR
SCHEMBL2647466 0.89 SLC10A2 (0.44) MAPTKDM4EMEN1KMT2ASLC10A2
SCHEMBL2647468 0.89 SLC10A2 (0.44) MAPTKDM4EMEN1KMT2ASLC10A2
SCHEMBL2649051 0.89 MAPT (0.45) MAPTKDM4EMEN1KMT2ASLC10A2
SCHEMBL2650698 0.88 SLC10A2 (0.43) MAPTKDM4EMEN1KMT2ASLC10A2
SCHEMBL2649455 0.88 SLC10A2 (0.43) MAPTKDM4EMEN1KMT2ASLC10A2
SCHEMBL2647327 0.88 SLC10A2 (0.43) MAPTKDM4EMEN1KMT2ASLC10A2
SCHEMBL2648651 0.87 SLC10A2 (0.43) MAPTMEN1KMT2ASLC10A2GCGR
SCHEMBL2648215 0.87 MAPT (0.48) MAPTKDM4EMEN1KMT2ASLC10A2

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