SCHEMBL6969647

SCHEMBL6969647

CC(C)c1nc(CCCO)n(Cc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.42
LTB4R Q15722 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
PPARG P37231 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL6962178 0.92 LMNA (0.40) TLR7LTB4RPDE4APDE4BPDE4C
SCHEMBL6968903 0.87 MEN1 (0.43) ALDH1A1TDP1
SCHEMBL6972595 0.82 LMNA (0.48) TLR7PPARG
SCHEMBL6973410 0.79 LMNA (0.41) TLR7ALDH1A1TDP1
SCHEMBL7081183 0.75 TDP1 (0.37) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7079248 0.74 TDP1 (0.37) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7086620 0.74 GSK3B (0.40) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7080963 0.72 TLR7 (0.41) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL9740603 0.70 ALDH1A1 (0.66) ALDH1A1TDP1AGTR1AGTR2
SCHEMBL6964845 0.69 MEN1 (0.35) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
CN-1093535-C Imidazole derivative SHIONOGI & CO (JP) 2002-10-30 CN disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
CN-1158609-A Imidazole derivative SHIONOGI & CO (JP) 1997-09-03 CN disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed