SCHEMBL1759325

SCHEMBL1759325

COc1ccccc1-c1cccc(CCNc2c(C(C)C)cccc2C(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.55
CASR P41180 1/20 0.49
FFAR1 O14842 5/20 0.47
HTR1A P08908 3/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HTR2A P28223 2/20 0.41
HTR1E P28566 2/20 0.41
HTR2B P41595 2/20 0.41
HTR5A P47898 2/20 0.41
HTR6 P50406 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
LPAR1 Q92633 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TTR P02766 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3338228 0.79 HTR7 (0.74) HTR7CASRFFAR1HTR1AHTR1D
SCHEMBL12881923 0.75 HTR7 (0.71) HTR7CASRFFAR1HTR1AHTR1D
SCHEMBL22398944 0.75 HTR7 (0.71) HTR7CASRFFAR1HTR1ADRD2
SCHEMBL1759143 0.75 HRH3 (0.43) HTR7FFAR1KDM4EMAPT
SCHEMBL1638864 0.74 CASR (0.52) HTR7CASRLPAR1PTPN5PTPRC
SCHEMBL9230739 0.74 HTR7 (0.69) HTR7CASRFFAR1HTR1ADRD2
SCHEMBL1759322 0.73 HTR7 (0.50) HTR7CASRFFAR1DRD2DRD4
SCHEMBL12806502 0.72 HTR7 (0.69) HTR7CASRFFAR1HTR1ADRD2
SCHEMBL10287112 0.71 HTR7 (0.66) HTR7CASRFFAR1HTR1ADRD2
SCHEMBL3338568 0.71 HTR7 (1.00) HTR7CASRFFAR1HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493932-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056423-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed