SCHEMBL8132936

SCHEMBL8132936

CN(C)CCOc1cccc(C(=O)NCCCCn2cnc3c(N)nc4ccccc4c32)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 18/20 0.46
▸ MAP4K4 O95819 1/20 0.42
▸ 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
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41

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
SCHEMBL8135875 0.93 TLR7 (0.43) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8136478 0.91 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8126455 0.89 TLR7 (0.45) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14111995 0.89 DRD4 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3864117 0.88 LMNA (0.46) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8134654 0.88 TLR7 (0.42) TLR7MAP4K4LMNAPOLBHRH2
SCHEMBL8140138 0.85 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3862412 0.84 TLR7 (0.53) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3867357 0.84 MCHR1 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3862349 0.84 TLR7 (0.47) 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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