SCHEMBL5748604

SCHEMBL5748604

CC(=O)N(CCCCn1cnc2c(N)nc3ccccc3c21)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
HRH2 P25021 1/20 0.57
ADRA1D P25100 1/20 0.57
HTR2A P28223 1/20 0.57
ADORA2A P29274 1/20 0.57
ADRA1A P35348 1/20 0.57
NUDT1 P36639 1/20 0.57
HTR2B P41595 1/20 0.57
PDE4D Q08499 1/20 0.57
KCNH2 Q12809 1/20 0.57
TLR8 Q9NR97 3/20 0.39

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
SCHEMBL5749046 0.89 TLR7 (0.55) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5748398 0.86 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5745102 0.83 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5747400 0.83 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5749444 0.83 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5749511 0.82 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5749074 0.82 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5749521 0.82 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL4565229 0.82 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5747100 0.81 TLR7 (0.49) 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-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP claimed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 US claimed