SCHEMBL8140138

SCHEMBL8140138

CN(C)CCOCc1ccc(C(=O)NCCCCn2cnc3c(N)nc4ccccc4c32)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 15/20 0.48
▸ TLR8 Q9NR97 4/20 0.45
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ NUDT1 P36639 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ ALOX5 P09917 1/20 0.40
▸ DRD2 P14416 4/20 0.40
▸ DRD4 P21917 4/20 0.40
▸ DRD3 P35462 4/20 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
SCHEMBL8136478 0.90 TLR7 (0.46) TLR7TLR8LMNAPOLBHRH2
SCHEMBL8126455 0.88 TLR7 (0.45) TLR7TLR8LMNAPOLBHRH2
SCHEMBL8133004 0.86 TLR7 (0.44) TLR7TLR8LMNAPOLBHRH2
SCHEMBL8135605 0.86 TLR7 (0.47) TLR7TLR8LMNAPOLBHRH2
SCHEMBL8125963 0.86 TLR7 (0.45) TLR7TLR8LMNAPOLBHRH2
SCHEMBL8135875 0.85 TLR7 (0.43) TLR7TLR8LMNAPOLBHRH2
SCHEMBL8128022 0.85 TLR7 (0.44) TLR7TLR8LMNAPOLBHRH2
SCHEMBL8132936 0.85 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3866208 0.84 TLR7 (0.56) TLR7TLR8LMNAPOLBHRH2
SCHEMBL8133750 0.84 TLR7 (0.48) TLR7TLR8LMNAPOLBHRH2

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
US-6069149-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS TERUMO KABUSHIKI KAISHA (JP) 2000-05-30 — — US disclosed
EP-0894797-A1 NOVEL AMIDE DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF TERUMO KABUSHIKI KAISHA (JP) 1999-02-03 — — EP disclosed
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