SCHEMBL6253702

SCHEMBL6253702

CCCc1ccccc1N=C1NCCNC1=Nc1c(C)cccc1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 6/20 0.34
ADRA2C P18825 6/20 0.34
ADRA2A P08913 5/20 0.34
CNR2 P34972 1/20 0.33
HTR1A P08908 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPT P10636 1/20 0.30
LMNA P02545 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
SCHEMBL6253700 1.00 ADRA2B (0.34) ADRA2BADRA2CADRA2ACNR2HTR1A
SCHEMBL5590258 0.79 POLB (0.39) ADRA2BADRA2CADRA2ANISCHMEN1
SCHEMBL5590260 0.79 POLB (0.39) ADRA2BADRA2CADRA2ANISCHMEN1
SCHEMBL5588477 0.77 POLB (0.38) ADRA2BADRA2CADRA2ANISCHMEN1
SCHEMBL6254252 0.77 CNR2 (0.34) CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL6254250 0.77 CNR2 (0.34) CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL6257035 0.77 CNR2 (0.34) CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL6257038 0.77 CNR2 (0.34) CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL6255450 0.75 ADRA2A (0.30) ADRA2BADRA2CADRA2ACNR2
SCHEMBL6255455 0.75 ADRA2A (0.30) ADRA2BADRA2CADRA2ACNR2

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-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed