SCHEMBL5750508

SCHEMBL5750508

Nc1nc2ccccc2c2c1ncn2CCCCCC(=O)NCC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.51
TLR7 Q9NYK1 15/20 0.46
HDAC6 Q9UBN7 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HRH2 P25021 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
ADORA2A P29274 1/20 0.45
ADRA1A P35348 1/20 0.45
NUDT1 P36639 1/20 0.45
HTR2B P41595 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
TLR8 Q9NR97 10/20 0.43
ENPP2 Q13822 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL5747572 0.86 TLR7 (0.48) TLR7HDAC6LMNAPOLBHRH2
SCHEMBL5750170 0.86 TLR7 (0.48) BACE1TLR7LMNAPOLBHRH2
SCHEMBL5747394 0.84 TLR7 (0.56) TLR7HDAC6LMNAPOLBHRH2
SCHEMBL5748394 0.84 TLR7 (0.53) TLR7HDAC6LMNAPOLBHRH2
SCHEMBL13937483 0.84 TLR7 (0.47) BACE1TLR7LMNAPOLBHRH2
SCHEMBL5617011 0.83 TLR7 (0.52) TLR7HDAC6LMNAPOLBHRH2
SCHEMBL5749045 0.82 TLR7 (0.55) TLR7HDAC6LMNAPOLBHRH2
SCHEMBL5748511 0.82 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5748601 0.82 TLR7 (0.57) TLR7HDAC6LMNAPOLBHRH2
SCHEMBL5749163 0.81 TLR7 (0.53) TLR7HDAC6LMNAPOLBHRH2

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