SCHEMBL9302359

SCHEMBL9302359

CCOC1CCOC(c2cccc(C)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
DRD3 P35462 4/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
SLC6A2 P23975 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
HSD11B1 P28845 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL9159765 0.85 HTR2C (0.40) HTR2CSLC6A4SLC6A3HTR2AHTR2B
SCHEMBL9303355 0.83 DRD3 (0.33) DRD3
SCHEMBL9157614 0.83 CHRNB4 (0.40) DRD3DRD2
SCHEMBL9154678 0.83 DRD3 (0.33) DRD3
SCHEMBL9263090 0.77 HTR2C (0.42) HTR2CSLC6A4SLC6A3HTR2AHTR2B
SCHEMBL9270460 0.76 HTR2C (0.41) HTR2CSLC6A4SLC6A3HTR2AHTR2B
SCHEMBL9156970 0.76 HTR2C (0.41) HTR2CSLC6A4SLC6A3HTR2AHTR2B
SCHEMBL14893874 0.71 HTR2C (0.46) HTR2CSLC6A4SLC6A3HTR2AHTR2B
SCHEMBL30949065 0.71 HTR2C (0.46) HTR2CSLC6A4SLC6A3HTR2AHTR2B
SCHEMBL12633105 0.70 HTR2C (0.45) HTR2CSLC6A4SLC6A3HTR2AHTR2B

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
US-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed
US-5227399-A Pyranylphenyl naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1993-07-13 US disclosed
EP-0501579-A1 Naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed
EP-0501578-A1 Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed