SCHEMBL2589631

SCHEMBL2589631

CCOC(=O)C(=O)c1c(C)c(S(=O)(=O)Cc2ccccc2)c2ccccn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.56
HCRTR1 O43613 3/20 0.56
HTT P42858 3/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 3/20 0.43
GAA P10253 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 1/20 0.40
MCL1 Q07820 1/20 0.39
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 2/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL2589762 0.82 HCRTR2 (0.57) HCRTR2HCRTR1HTTL3MBTL1ALDH1A1
SCHEMBL7710724 0.80 HCRTR2 (0.70) HCRTR2HCRTR1HTTL3MBTL1ALDH1A1
SCHEMBL2589693 0.79 HCRTR2 (0.47) HCRTR2HCRTR1HTTATML3MBTL1
SCHEMBL2591733 0.79 HCRTR2 (0.55) HCRTR2HCRTR1HTTL3MBTL1ALDH1A1
SCHEMBL2585096 0.75 HCRTR2 (0.74) HCRTR2HCRTR1HTTL3MBTL1ALDH1A1
SCHEMBL2586420 0.74 HCRTR2 (0.54) HCRTR2HCRTR1HTTL3MBTL1ALDH1A1
SCHEMBL7707423 0.72 HCRTR2 (1.00) HCRTR2HCRTR1ALDH1A1KDM4EHSD17B10
SCHEMBL2594270 0.69 HCRTR2 (0.75) HCRTR2HCRTR1L3MBTL1ALDH1A1HPGD
SCHEMBL7706361 0.68 HCRTR2 (0.62) HCRTR2HCRTR1L3MBTL1ALDH1A1KDM4E
SCHEMBL7710901 0.68 HCRTR2 (1.00) HCRTR2HCRTR1L3MBTL1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed