SCHEMBL8136478

SCHEMBL8136478

CN(C)CCOc1ccc(C(=O)NCCCCn2cnc3c(N)nc4ccccc4c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 16/20 0.46
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ NUDT1 P36639 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.43
▸ ALDH1A1 P00352 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
SCHEMBL8126455 0.98 TLR7 (0.45) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8135875 0.94 TLR7 (0.43) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8132936 0.91 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8140138 0.90 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8133004 0.88 TLR7 (0.44) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5747792 0.88 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8135605 0.88 TLR7 (0.47) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8125963 0.88 TLR7 (0.45) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3869477 0.87 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8128022 0.87 TLR7 (0.44) 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 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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