SCHEMBL4068953

SCHEMBL4068953

CCCc1c(OCCCCCCNC(=O)C(C)C)ccc2nc(N)c3nc(COCC)[nH]c3c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CXCR2 P25025 3/20 0.31
PTGES O14684 2/20 0.31
TLR8 Q9NR97 2/20 0.30
TLR7 Q9NYK1 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5 P09917 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL5805143 0.88 TLR7 (0.42) MAPTKDM4ETLR8TLR7
SCHEMBL4064967 0.85 TLR7 (0.34) TLR8TLR7
SCHEMBL4070545 0.82 TLR8 (0.34) TLR8TLR7
SCHEMBL5805491 0.77 DCPS (0.38) TLR8TLR7
SCHEMBL4073451 0.75 TLR8 (0.31) TLR8TLR7
SCHEMBL25959237 0.75 TLR7 (0.42) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL20547228 0.69 TLR8 (0.36) TLR8TLR7
SCHEMBL21712374 0.68 TLR8 (0.45) TLR8TLR7
SCHEMBL30662199 0.68 TLR8 (0.45) TLR8TLR7
Hydrochloric Acid SCHEMBL21712391 0.68 TLR8 (0.36) TLR8TLR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A9 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-05-18 WO disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 WO disclosed