SCHEMBL5777996

SCHEMBL5777996

NC(=O)CC(CCCCn1cnc2c(N)nc3ccccc3c21)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 16/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ ADRA1D P25100 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ NUDT1 P36639 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ TLR8 Q9NR97 7/20 0.36
▸ CCR5 P51681 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32

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
SCHEMBL3863872 0.82 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5750166 0.82 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5746742 0.78 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5747572 0.78 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5778320 0.78 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3864772 0.77 TLR7 (0.55) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5748511 0.77 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5750294 0.77 EPHX1 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3863863 0.77 TLR7 (0.53) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3865341 0.76 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 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
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