SCHEMBL14592704

SCHEMBL14592704

CC(C)c1ccc(NC(=O)NCCCCn2cnc3c(N)nc4ccccc4c32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 9/20 0.51
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ HRH2 P25021 1/20 0.51
▸ ADRA1D P25100 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ NUDT1 P36639 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.47
▸ EPHX1 P07099 2/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ DOT1L Q8TEK3 1/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ NR3C1 P04150 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
SCHEMBL14592796 0.91 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592837 0.89 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592832 0.89 TLR7 (0.47) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592712 0.88 TLR7 (0.47) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592715 0.88 TLR7 (0.47) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592821 0.87 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592750 0.86 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592826 0.86 TLR7 (0.52) TLR7
SCHEMBL14592703 0.86 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592806 0.86 TLR7 (0.46) 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-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 — — US disclosed
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 — — US disclosed
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