SCHEMBL6972767

SCHEMBL6972767

CC(C)c1nc(CCOC(N)=O)n(Cc2cnc3ccccc3c2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.35
ITGB2 P05107 5/20 0.34
ICAM1 P05362 5/20 0.34
ITGAL P20701 5/20 0.34
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.32

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
SCHEMBL6974151 0.92 FAAH (0.36) FAAHITGB2ICAM1ITGALERCC5
SCHEMBL6960043 0.91 FAAH (0.35) FAAHITGB2ICAM1ITGALERCC5
SCHEMBL6967887 0.88 LMNA (0.35)
SCHEMBL6967535 0.87 FAAH (0.35) FAAHITGB2ICAM1ITGALERCC5
SCHEMBL7083375 0.86 FAAH (0.34) FAAHITGB2ICAM1ITGALERCC5
SCHEMBL6975892 0.85 ALDH1A1 (0.36) FAAHITGB2ICAM1ITGALERCC5
SCHEMBL6968913 0.85 FAAH (0.36) FAAHITGB2ICAM1ITGALERCC5
SCHEMBL6974966 0.85 GRIN1 (0.36)
SCHEMBL6967988 0.84 ENPP2 (0.35)
SCHEMBL6967033 0.84 ENPP2 (0.31)

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