SCHEMBL3836898

SCHEMBL3836898

C=Cc1ccccc1CCl.CN(C)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
TAAR1 Q96RJ0 3/20 0.43
AOC3 Q16853 1/20 0.42
HRH3 Q9Y5N1 1/20 0.36
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 4/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL11246054 0.86 ALDH1A1 (0.55) ALDH1A1TSHRTAAR1AOC3HRH3
Trimethylammonium SCHEMBL210363 0.85 ALDH1A1 (0.43) ALDH1A1TSHRTAAR1AOC3SLC6A2
SCHEMBL8492024 0.82 ALDH1A1 (0.41) ALDH1A1TSHRTAAR1AOC3SLC6A2
SCHEMBL15850 0.81 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL29395089 0.81 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL187720 0.79 SLC6A4 (0.44) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL11805829 0.79 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL21835033 0.79 MEN1 (0.39) ALDH1A1TSHRTAAR1HRH3SLC6A2
Phosphine SCHEMBL9146532 0.79 ALDH1A1 (0.48) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL11329466 0.79 ALDH1A1 (0.48) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1151090-B1 MULTIPLE ENZYME ASSAYS APPLERA CORP (US) 2009-09-02 EP claimed
EP-0874913-B1 MULTIPLE REPORTER GENE ASSAY APPLERA CORP (US) 2008-06-25 EP claimed
EP-1151090-A4 MULTIPLE ENZYME ASSAYS APPLERA CORP (US) 2007-05-02 EP claimed
US-6602657-B1 Measuring the light signal produced by degradation of the substrates by the reporter enzymes; sequentially performed on the same aliquot of sample; used for detecting transcriptional activity in a cell TROPIX, INC. 2003-08-05 US claimed
EP-0874913-A4 MULTIPLE REPORTER GENE ASSAY TROPIX INC (US) 2003-07-30 EP claimed
JP-2003520017-A 2003-07-02 JP claimed
US-6586196-B1 Multiple enzyme assays TROPIX, INC. 2003-07-01 US claimed
EP-1151090-A1 MULTIPLE ENZYME ASSAYS TROPIX, INC. (US) 2001-11-07 EP claimed
WO-2000036098-A1 MULTIPLE ENZYME ASSAYS TROPIX, INC. (US) 2000-06-22 WO claimed
EP-0874913-A1 MULTIPLE REPORTER GENE ASSAY TROPIX, INC. (US) 1998-11-04 EP claimed
WO-1997024460-A1 MULTIPLE REPORTER GENE ASSAY TROPIX, INC. (US) 1997-07-10 WO claimed
EP-1151090-B1 MULTIPLE ENZYME ASSAYS APPLERA CORP (US) 2009-09-02 EP disclosed
EP-0874913-B1 MULTIPLE REPORTER GENE ASSAY APPLERA CORP (US) 2008-06-25 EP disclosed
EP-1151090-A4 MULTIPLE ENZYME ASSAYS APPLERA CORP (US) 2007-05-02 EP disclosed
US-6602658-B1 Initiating two luciferase-mediated luminescence reactions; quantifying and quenching luminescence; adding an accelerator solution to inactivate first reaction TROPIX, INC. 2003-08-05 US disclosed
US-6586196-B1 Multiple enzyme assays TROPIX, INC. 2003-07-01 US disclosed
EP-1151090-A1 MULTIPLE ENZYME ASSAYS TROPIX, INC. (US) 2001-11-07 EP disclosed
WO-2000036098-A1 MULTIPLE ENZYME ASSAYS TROPIX, INC. (US) 2000-06-22 WO disclosed
EP-0874913-A1 MULTIPLE REPORTER GENE ASSAY TROPIX, INC. (US) 1998-11-04 EP disclosed
WO-1997024460-A1 MULTIPLE REPORTER GENE ASSAY TROPIX, INC. (US) 1997-07-10 WO disclosed