SCHEMBL6961399

SCHEMBL6961399

CC(C)c1nc(CCCOC(N)=O)n(Cc2ccc(N)cc2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.35
TLR7 Q9NYK1 3/20 0.34
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 0.33
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.31
ENPP2 Q13822 2/20 0.31

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
SCHEMBL6967033 0.95 ENPP2 (0.31) PPARGTLR7AGTR1AGTR2KCNH2
SCHEMBL6971875 0.92 LMNA (0.41) PPARGTLR7AGTR1AGTR2KCNH2
SCHEMBL6965758 0.91 ENPP2 (0.34) PPARGTLR7AGTR1AGTR2KCNH2
SCHEMBL6974575 0.91 TLR7 (0.35) PPARGTLR7KCNH2LMNA
SCHEMBL6962112 0.90 PPARG (0.34) PPARGTLR7AGTR1AGTR2KCNH2
SCHEMBL6973048 0.89 ENPP2 (0.35) LMNAENPP2
SCHEMBL6971990 0.88 PPARG (0.34) PPARGKCNH2
SCHEMBL6967887 0.87 LMNA (0.35) PPARGTLR7LMNAENPP2
SCHEMBL6970826 0.87 GRIN1 (0.35) TLR7LMNAENPP2
SCHEMBL6967565 0.86 LMNA (0.32) PPARGTLR7AGTR1AGTR2LMNA

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-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP 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
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed