SCHEMBL5747431

SCHEMBL5747431

NC(=O)c1ccc(CN2CCOCC2)cc1CCCCn1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.42
PARP1 P09874 3/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HRH2 P25021 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
ADORA2A P29274 1/20 0.40
ADRA1A P35348 1/20 0.40
NUDT1 P36639 1/20 0.40
HTR2B P41595 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3866902 0.85 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3862338 0.82 TLR7 (0.39) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3866212 0.82 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5749840 0.82 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5747381 0.82 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3862410 0.81 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5748389 0.81 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3863897 0.81 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5747420 0.81 TLR7 (0.43) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6838387 0.81 TLR7 (0.48) 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 6 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
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP claimed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 EP claimed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO claimed