SCHEMBL4148512

SCHEMBL4148512

CCC(C)c1nc2ccccc2c2c1ncn2CCCC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
TLR7 Q9NYK1 2/20 0.43
POLB P06746 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
ADORA2A P29274 1/20 0.43
ADRA1A P35348 1/20 0.43
NUDT1 P36639 1/20 0.43
HTR2B P41595 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
CSNK2A2 P19784 1/20 0.36

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
SCHEMBL6053075 0.90 TLR7 (0.44) LMNATLR7POLBHRH2ADRA1D
SCHEMBL5668890 0.87 TLR7 (0.46) LMNATLR7POLBHRH2ADRA1D
SCHEMBL6280722 0.83 TLR7 (0.50) LMNATLR7POLBHRH2ADRA1D
SCHEMBL4143851 0.81 TLR7 (0.57) LMNATLR7POLBHRH2ADRA1D
SCHEMBL5669048 0.80 TLR7 (0.49) LMNATLR7POLBHRH2ADRA1D
SCHEMBL6053164 0.78 TLR7 (0.46) LMNATLR7POLBHRH2ADRA1D
SCHEMBL6053041 0.78 TNF (0.48) LMNATLR7POLBHRH2ADRA1D
SCHEMBL6053112 0.78 TLR7 (0.43) LMNATLR7POLBHRH2ADRA1D
SCHEMBL5669098 0.77 TLR7 (0.44) LMNATLR7POLBHRH2ADRA1D
SCHEMBL4148737 0.77 TLR7 (0.55) LMNATLR7POLBHRH2ADRA1D

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-1687307-A4 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-06-17 EP disclosed
EP-1687307-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M Innovative Properties Company (US) 2006-08-09 EP disclosed
WO-2005051317-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-09 WO disclosed