SCHEMBL5747572

SCHEMBL5747572

Nc1nc2ccccc2c2c1ncn2CCCCCC(=O)NC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
HRH2 P25021 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
ADORA2A P29274 1/20 0.47
ADRA1A P35348 1/20 0.47
NUDT1 P36639 1/20 0.47
HTR2B P41595 1/20 0.47
PDE4D Q08499 1/20 0.47
KCNH2 Q12809 1/20 0.47
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
IGSF11 Q5DX21 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL5750508 0.86 BACE1 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5750294 0.85 EPHX1 (0.48) TLR7HPGDMAPK1LMNAPOLB
SCHEMBL5749045 0.84 TLR7 (0.55) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5748601 0.84 TLR7 (0.57) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5747394 0.83 TLR7 (0.56) TLR7ALDH1A1LMNAPOLBHRH2
SCHEMBL5748394 0.83 TLR7 (0.53) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5617011 0.81 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5778320 0.81 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5750170 0.81 TLR7 (0.48) TLR7HPGDALDH1A1LMNAPOLB
SCHEMBL13937483 0.81 TLR7 (0.47) TLR7HPGDALDH1A1LMNAPOLB

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