SCHEMBL6899872

SCHEMBL6899872

CC(C)(C[Al](CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1.c1ccc(C(C[Al](CC(c2ccccc2)c2ccccc2)CC(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HRH1 P35367 4/20 0.36
HTR2A P28223 4/20 0.36
CACNA1F O60840 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
CACNA1D Q01668 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
RIPK1 Q13546 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL336691 0.84 TAAR1 (0.56) TAAR1CYP3A4TSHRCYP2C19MAPK1
SCHEMBL336641 0.78 HTR2A (0.50) TAAR1HRH1HTR2ATDP1TSHR
SCHEMBL7916191 0.67 TAAR1 (0.61) TAAR1CYP3A4TSHRCYP2C19MAPK1
SCHEMBL1019329 0.66 RIPK1 (0.52) TAAR1HRH1CACNA1FCHRM2CHRM1
SCHEMBL336626 0.66 CYP2D6 (0.40) TAAR1HRH1CACNA1FCHRM2CHRM1
SCHEMBL13299981 0.65 TAAR1 (0.58) TAAR1CYP3A4TSHRCYP2C19MAPK1
Iodide SCHEMBL7922199 0.65 TAAR1 (0.58) TAAR1CYP3A4TSHRCYP2C19MAPK1
SCHEMBL8755029 0.65 TAAR1 (0.58) TAAR1CYP3A4TSHRCYP2C19MAPK1
SCHEMBL5079703 0.65 HRH1 (0.52) TAAR1CNR1CNR2HRH1HTR2A
SCHEMBL5091460 0.65 TAAR1 (0.52) TAAR1KIF11CYP3A4CYP2C19MAPK1

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-1141049-B1 CATALYST SYSTEM FOR OLEFIN POLYMERIZATION BASELL POLYOLEFINE GMBH (DE) 2004-06-09 EP claimed
EP-1141049-B1 CATALYST SYSTEM FOR OLEFIN POLYMERIZATION BASELL POLYOLEFINE GMBH (DE) 2004-06-09 EP disclosed