SCHEMBL5163662

SCHEMBL5163662

CCCCOC(=O)N1CCC(O)(Cn2c(C)nc3c(N)nc4cccnc4c32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.41
OPRK1 P41145 2/20 0.41
TLR7 Q9NYK1 5/20 0.38
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
USP7 Q93009 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MPI P34949 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PKLR P30613 2/20 0.33

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
SCHEMBL1140949 0.86 MAP4K4 (0.39) OPRD1OPRK1TLR7USP7PKLR
SCHEMBL1141523 0.81 PIK3C2B (0.37) TLR7USP7KDM4EALDH1A1USP19
SCHEMBL1141178 0.79 TLR7 (0.37) OPRD1OPRK1TLR7USP7ALDH1A1
SCHEMBL1141036 0.78 MAP4K4 (0.38) OPRD1OPRK1TLR7USP7PKLR
SCHEMBL1141211 0.78 TLR7 (0.40) TLR7USP7
Hydrochloric Acid SCHEMBL1140972 0.77 TLR7 (0.39) TLR7USP7
SCHEMBL1140952 0.77 TLR7 (0.41) TLR7USP7PKLR
SCHEMBL1140951 0.73 TLR7 (0.37) TLR7USP7KDM4EALDH1A1PKLR
SCHEMBL1141085 0.73 TLR7 (0.47) TLR7
SCHEMBL1141215 0.72 TLR7 (0.46) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765348-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-03-28 EP disclosed
WO-2006028545-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed