SCHEMBL6730779

SCHEMBL6730779

Nc1ccccc1CCCOCCn1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
HRH2 P25021 1/20 0.52
ADRA1D P25100 1/20 0.52
HTR2A P28223 1/20 0.52
ADORA2A P29274 1/20 0.52
ADRA1A P35348 1/20 0.52
NUDT1 P36639 1/20 0.52
HTR2B P41595 1/20 0.52
PDE4D Q08499 1/20 0.52
KCNH2 Q12809 1/20 0.52
TLR8 Q9NR97 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
NCF1 P14598 3/20 0.36

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
Trifluoroacetic Acid SCHEMBL6107562 0.92 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL7151352 0.89 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6107460 0.88 TLR7 (0.55) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6699331 0.87 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6106720 0.87 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL7180218 0.84 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6694771 0.84 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6695790 0.84 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6702071 0.84 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL4330880 0.83 TLR7 (0.59) TLR7LMNAPOLBHRH2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677348-B2 INDUCE CYTOKINE BIOSYNTHESIS; ANTICARCINOGENIC AGENTS, VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 US disclosed