SCHEMBL2169848

SCHEMBL2169848

C=CCC1[C]=CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.39
PRCP P42785 3/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 1/20 0.33
SIGMAR1 Q99720 4/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
BCHE P06276 1/20 0.30
HTR2A P28223 2/20 0.30
RET P07949 1/20 0.30
HTR2C P28335 1/20 0.30
HRH1 P35367 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
SCHEMBL455641 0.77 HTR2A (0.34) PRCPADRA1BHTR2ARETHTR2C
SCHEMBL11026480 0.75 MEN1 (0.32) HTR2ARETHTR2CHRH1
SCHEMBL3389204 0.69 HTR2A (0.35) HTR2ARETHTR2CHRH1
SCHEMBL6521360 0.67 HTR2A (0.35) PRCPALDH1A1OPRM1HTR2AHTR2C
SCHEMBL874497 0.67 HTR2A (0.34) CYP2C19HTR2ARETHTR2CHRH1
SCHEMBL458123 0.67 HTR2A (0.34) HTR2ARETHTR2CHRH1
SCHEMBL455932 0.67 HTR2A (0.34) OPRM1HTR2ARETHTR2CHRH1
SCHEMBL4290508 0.67 HTR2A (0.35) PRCPALDH1A1OPRM1HTR2AHTR2C
SCHEMBL458495 0.67 HTR2A (0.35) PRCPALDH1A1OPRM1HTR2AHTR2C
SCHEMBL4307808 0.67 HTR2A (0.34) HTR2ARETHTR2CHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083646-A1 PHOSPHINYL FORMAMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2016-10-26 EP disclosed
WO-2015094207-A1 PHOSPHINYL FORMAMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-06-25 WO disclosed
EP-2858750-A1 PHOSPHINYL GUANIDINE COMPOUNDS, METAL SALT COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2015-04-15 EP disclosed
WO-2013184579-A1 PHOSPHINYL GUANIDINE COMPOUNDS, METAL SALT COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-12-12 WO disclosed
EP-2519532-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2012-11-07 EP disclosed
WO-2011082192-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-07 WO disclosed