SCHEMBL5268569

SCHEMBL5268569

CCOC(=O)c1[nH]c2ccccc2c1CCCC(=O)OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.70
HTR1A P08908 1/20 0.67
DRD2 P14416 1/20 0.67
DRD4 P21917 1/20 0.67
HTR1D P28221 1/20 0.67
HTR1B P28222 1/20 0.67
HTR1F P30939 1/20 0.67
HTR7 P34969 1/20 0.67
DRD3 P35462 1/20 0.67
ALDH1A1 P00352 6/20 0.62
MAPT P10636 5/20 0.62
NPSR1 Q6W5P4 2/20 0.62
HPGD P15428 3/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 2/20 0.57
KDM4E B2RXH2 12/20 0.56
EGFR P00533 1/20 0.54
SRC P12931 1/20 0.54
TUBB4A P04350 2/20 0.54
TUBB P07437 2/20 0.54

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
SCHEMBL3280964 0.91 EGFR (0.57) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL9094606 0.88 HTR6 (0.73) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2204353 0.86 HTR6 (0.74) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2204865 0.85 HTR6 (0.76) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3033159 0.84 HTR6 (0.80) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL9449326 0.82 MCL1 (0.63) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL1486947 0.82 HTR6 (1.00) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL7380686 0.82 HTR6 (0.68) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL9154720 0.82 KDM4E (0.61) HTR6ALDH1A1MAPTTSHRKDM4E
SCHEMBL3029129 0.82 HTR6 (0.75) HTR6HTR1ADRD2DRD4HTR1D

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
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP disclosed