SCHEMBL2654884

SCHEMBL2654884

CCCCc1c(O)ccc(-c2ccccc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
GCGR P47871 3/20 0.41
HPGD P15428 4/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSMB5 P28074 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 1/20 0.40
ESR2 Q92731 1/20 0.40
BACE1 P56817 2/20 0.39
TYR P14679 1/20 0.39

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
SCHEMBL29000465 0.88 HPGD (0.43) GCGRHPGDNPC1MAPK1HTT
SCHEMBL29925513 0.88 HPGD (0.43) GCGRHPGDNPC1MAPK1HTT
SCHEMBL3215348 0.87 TYR (0.42) PDCD1CD274GCGRHPGDNPC1
SCHEMBL2865287 0.87 GCGR (0.44) GCGRHPGDNPC1MAPK1HTT
SCHEMBL324414 0.87 HPGD (0.43) GCGRHPGDNPC1MAPK1HTT
SCHEMBL2203886 0.85 GCGR (0.47) GCGRHPGDNPC1MAPK1HTT
SCHEMBL10610552 0.83 GCGR (0.41) GCGRHPGDNPC1MAPK1HTT
SCHEMBL10694309 0.83 RARB (0.55) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2864086 0.82 GCGR (0.50) GCGRHPGDKDM4EALDH1A1HSD11B1
SCHEMBL1837688 0.81 BCL2L1 (0.48) PDCD1CD274GCGRHPGDNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115735-B Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI 2013-01-09 CN disclosed
CN-101115735-A Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI (US) 2008-01-30 CN disclosed
EP-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed