SCHEMBL8740486

SCHEMBL8740486

c1ccc(CNCCOc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 1.00
DRD2 P14416 5/20 0.71
DRD3 P35462 5/20 0.71
ADRA1D P25100 2/20 0.71
ADRA1A P35348 2/20 0.71
ADRA1B P35368 2/20 0.71
GAA P10253 1/20 0.70
PPARG P37231 1/20 0.70
HTR1A P08908 1/20 0.62
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58

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
SCHEMBL9269749 0.91 DRD4 (0.83) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL9269193 0.89 DRD4 (0.80) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL9269886 0.89 DRD4 (0.80) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL9080658 0.89 DRD4 (0.80) DRD4DRD2DRD3ADRA1DADRA1A
Hydrochloric Acid SCHEMBL11130174 0.89 DRD4 (0.79) DRD4DRD2DRD3GAAPPARG
SCHEMBL6961128 0.88 DRD4 (0.77) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL5149991 0.88 DRD4 (0.77) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL6832002 0.88 DRD4 (0.77) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL10347029 0.88 DRD4 (1.00) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL10390502 0.86 DRD4 (0.75) DRD4DRD2DRD3ADRA1DADRA1A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624961-A Benzylaminoethoxybenzene derivatives, production thereof and use thereof JAPAN TOBACCO INC. (JP) 1997-04-29 US claimed
EP-0693474-A1 NOVEL BENZYLAMINOETHOXYBENZENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Toyo Boseki Kabushiki Kaisha (JP) 1996-01-24 EP claimed
CN-1114644-A Novel benzylaminoethoxybenzene derivatives, production thereof and use thereof TOYO BOSEKI (JP) 1996-01-10 CN claimed
US-5331011-A N-benzyl-n-phenoxyethylamines and agricultural and horticultural bactericides MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1994-07-19 US claimed
US-5221694-A Preventing or curing plant diseases MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-06-22 US claimed
JP-5140054-A None JP disclosed
JP-4217946-A None JP disclosed
JP-5238995-A None JP disclosed
JP-7224013-A None JP disclosed
US-20150150264-A1 Alkali Metal Bisulfate Method JONES-HAMILTON CO. 2015-06-04 US disclosed
US-20150010653-A1 Alkali Metal Bisulfate Composition and Method JONES-HAMILTON CO. 2015-01-08 US disclosed
US-5624961-A Benzylaminoethoxybenzene derivatives, production thereof and use thereof JAPAN TOBACCO INC. (JP) 1997-04-29 US disclosed
US-5221694-A Preventing or curing plant diseases MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-06-22 US disclosed
US-5221694-A Preventing or curing plant diseases MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-06-22 US disclosed
JP-H05140054-A N-BENZYL-N-PHENOXYETHYLAMINE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUBISHI GAS CHEM CO INC 1993-06-08 JP disclosed
JP-H04217946-A N-BENZYL-N-PHENOXYETHYLAMINES AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUBISHI GAS CHEM CO INC 1992-08-07 JP disclosed
EP-0454492-A1 N-benzyl-N-phenoxyethylamines and agricultural and horticultural bactericides MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-10-30 EP disclosed
EP-0454492-A1 N-benzyl-N-phenoxyethylamines and agricultural and horticultural bactericides MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-10-30 EP disclosed
US-4558155-A N-(Aryloxyalkyl)-N'-(aminoalkyl)thioureas A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-10 US disclosed
US-4500529-A ANTIARRHYTHMIA AGENT A. H. ROBINS COMPANY, INCORPORATED (US) 1985-02-19 US disclosed