SCHEMBL8142202

SCHEMBL8142202

CN(C)c1ccc(CCC(=O)NCCCCn2cnc3c(N)nc4ccccc4c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 19/20 0.46
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ NUDT1 P36639 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ TLR8 Q9NR97 11/20 0.43
▸ HPGD P15428 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
SCHEMBL3863867 0.91 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3864770 0.85 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5749443 0.84 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8127086 0.84 TLR7 (0.41) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL13937504 0.83 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL24122582 0.83 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5745097 0.83 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL13937509 0.83 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8127887 0.82 ALDH1A1 (0.44) TLR7POLB
SCHEMBL5746744 0.82 TLR7 (0.51) 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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