SCHEMBL9159596

SCHEMBL9159596

COC1CCOC(c2cccc(CBr)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.32
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL9303355 0.87 DRD3 (0.33) DRD3
SCHEMBL9157877 0.87 DRD3 (0.32) DRD3DRD2
SCHEMBL9264574 0.82 DRD3 (0.34) DRD3DRD2
SCHEMBL9159765 0.81 HTR2C (0.40) DRD3DRD2HTR2AHTR2CHTR2B
SCHEMBL9154962 0.81 DRD3 (0.35) DRD3SLC5A1SLC5A2DRD2
SCHEMBL9261351 0.80 DRD3 (0.38) DRD3SLC5A1SLC5A2DRD2
SCHEMBL6024905 0.80 DRD3 (0.50) DRD3DRD2HTR2AHTR2CHTR2B
SCHEMBL6024998 0.76 DRD2 (0.33) DRD3SLC5A1SLC5A2DRD2HTR2A
SCHEMBL9154678 0.74 DRD3 (0.33) DRD3
SCHEMBL9157614 0.74 CHRNB4 (0.40) DRD3SLC5A1SLC5A2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5148182-A None JP disclosed
US-5428060-A Useful as antiasthamatic, antiallergic, antiinflammatory and cytoprotective agent MERCK FROSST CANADA, INC. (CA) 1995-06-27 US disclosed
US-5424320-A Antihistamine, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1995-06-13 US disclosed
US-5410054-A Heteroaryl quinolines as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1995-04-25 US disclosed
US-5360815-A Heteroaryl cinnamic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-11-01 US disclosed
US-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
WO-1994005658-A1 HETEROARYLNAPHTHALENE LACTONES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-03-17 WO disclosed
WO-1994005657-A1 HETEROARYLNAPHTHALENE HYDROXY ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-03-17 WO disclosed
US-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed
EP-0579304-A1 Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1994-01-19 EP disclosed
WO-1994000444-A1 HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-01-06 WO disclosed
US-5252599-A Antiasthma, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-10-12 US disclosed
US-5227399-A Pyranylphenyl naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1993-07-13 US disclosed
JP-H05148182-A PYRANYLPHENYL HYDROXYALKYLNAPHTHOIC ACID AS INHIBITOR OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC 1993-06-15 JP disclosed
US-5210230-A Lignan process MERCK & CO., INC. (US) 1993-05-11 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