SCHEMBL6932646

SCHEMBL6932646

C=CCc1ccccc1OC(NC(C)C)C(C)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.54
ADRB1 P08588 5/20 0.54
ADRA2C P18825 4/20 0.54
HTR1A P08908 3/20 0.54
ADRB3 P13945 3/20 0.54
LMNA P02545 2/20 0.54
KCNH2 Q12809 2/20 0.54
SLC6A2 P23975 1/20 0.54
BDKRB2 P30411 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
HTR2B P41595 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
KDM4E B2RXH2 2/20 0.53
PMP22 Q01453 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL5661405 0.83 ADRB2 (0.51) ADRB2ADRB1ADRA2CHTR1AADRB3
SCHEMBL6684333 0.81 ADRB2 (0.56) ADRB2ADRB1ADRA2CHTR1AADRB3
SCHEMBL1325928 0.81 ADRB2 (0.56) ADRB2ADRB1ADRA2CHTR1AADRB3
SCHEMBL7918186 0.78 ADRB2 (0.51) ADRB2ADRB1ADRA2CHTR1AADRB3
SCHEMBL28617191 0.77 ADRA2C (0.53) ADRB2ADRB1ADRA2CHTR1AADRB3
SCHEMBL15209922 0.77 ADRA2C (0.56) ADRB2ADRB1ADRA2CHTR1AADRB3
SCHEMBL10993978 0.75 ADRB2 (0.51) ADRB2ADRB1ADRA2CHTR1AADRB3
SCHEMBL10449494 0.75 ALDH1A1 (0.52) ADRB2ADRB1ADRA2CHTR1AADRB3
SCHEMBL11063767 0.75 ADRA2C (0.45) ADRB2ADRB1ADRA2CHTR1AADRB3
SCHEMBL6213473 0.74 ADRA2C (0.53) ADRB2ADRB1ADRA2CHTR1AADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
US-20030149119-A1 Ethylenically unsaturated amine salts of sulfonic, phosphoric, and carboxylic acids STEPAN COMPANY 2003-08-07 US disclosed
EP-1105429-A1 ANTIMICROBIAL POLYMER LATEXES DERIVED FROM UNSATURATED QUATERNARY AMMONIUM COMPOUNDS AND ANTIMICROBIAL COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS PRODUCED FROM SUCH LATEXES STEPAN COMPANY (US) 2001-06-13 EP disclosed
EP-1102794-A1 IMPROVED COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS UTILIZING POLYMER LATEXES DERIVED FROM UNSATURATED AMINE SALTS STEPAN COMPANY (US) 2001-05-30 EP disclosed
EP-1100325-A1 POLYMER LATEXES PREPARED FROM ETHYLENICALLY UNSATURATED AMINE SALTS STEPAN COMPANY (US) 2001-05-23 EP disclosed
WO-2000006612-A1 ANTIMICROBIAL POLYMER LATEXES DERIVED FROM UNSATURATED QUATERNARY AMMONIUM COMPOUNDS AND ANTIMICROBIAL COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS PRODUCED FROM SUCH LATEXES STEPAN COMPANY (US) 2000-02-10 WO disclosed
WO-2000005950-A1 POLYMER LATEXES PREPARED FROM ETHYLENICALLY UNSATURATED AMINE SALTS STEPAN COMPANY (US) 2000-02-10 WO disclosed
WO-2000006611-A1 IMPROVED COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS UTILIZING POLYMER LATEXES DERIVED FROM UNSATURATED AMINE SALTS STEPAN COMPANY (US) 2000-02-10 WO disclosed
EP-0960134-A1 IMPROVED EMULSION POLYMERIZATION PROCESS UTILIZING ETHYLENICALLY UNSATURATED AMINE SALTS OF SULFONIC, PHOSPHORIC AND CARBOXYLIC ACIDS STEPAN COMPANY (US) 1999-12-01 EP disclosed
WO-1998032773-A1 IMPROVED EMULSION POLYMERIZATION PROCESS UTILIZING ETHYLENICALLY UNSATURATED AMINE SALTS OF SULFONIC, PHOSPHORIC AND CARBOXYLIC ACIDS STEPAN COMPANY (US) 1998-07-30 WO disclosed