SCHEMBL7547604

SCHEMBL7547604

CC(C)Cc1ccc(C(C)CCCCCn2cnc3c(N)nc4ccccc4c32)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 18/20 0.58
▸ LMNA P02545 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ HRH2 P25021 1/20 0.58
▸ ADRA1D P25100 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ ADORA2A P29274 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ NUDT1 P36639 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ TLR8 Q9NR97 8/20 0.42

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
SCHEMBL3864065 0.88 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL7547610 0.82 TLR7 (0.57) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3864060 0.82 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL10587620 0.78 TLR7 (0.64) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3177482 0.78 TLR7 (0.64) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL15924735 0.78 TLR7 (0.64) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3864056 0.78 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
Hydrochloric Acid SCHEMBL3195878 0.77 TLR7 (0.62) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8136496 0.77 TLR7 (0.62) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL22803635 0.77 TLR7 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 — — EP disclosed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 — — EP disclosed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 — — WO disclosed
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