SCHEMBL5356587

SCHEMBL5356587

FC(F)(F)c1cccnc1N1CCCNCC1

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.89
HSD11B1 P28845 6/20 0.53
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
NCF1 P14598 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL233710 0.94 EPHX2 (1.00) EPHX2HSD11B1MAPTTSHRHTT
Piperazine SCHEMBL5324447 0.93 EPHX2 (0.97) EPHX2HSD11B1MAPTTSHRHTT
Hydrochloric Acid SCHEMBL10319192 0.93 EPHX2 (0.97) EPHX2HSD11B1MAPTTSHRHTT
SCHEMBL22668886 0.86 EPHX2 (0.73) EPHX2HSD11B1MAPTTSHRHTT
SCHEMBL14803888 0.86 EPHX2 (0.65) EPHX2HSD11B1
SCHEMBL22669112 0.85 EPHX2 (0.71) EPHX2HSD11B1MAPTTSHRHTT
SCHEMBL31419319 0.79 EPHX2 (0.64) EPHX2HSD11B1MAPTTSHRHTT
SCHEMBL30582914 0.79 EPHX2 (0.64) EPHX2HSD11B1MAPTTSHRHTT
SCHEMBL30582903 0.79 EPHX2 (0.64) EPHX2HSD11B1MAPTTSHRHTT
SCHEMBL30582905 0.78 EPHX2 (0.62) EPHX2HSD11B1MAPTTSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007122411-A1 DIAZEPAN-1-YL-SULFONYL DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2007-11-01 WO disclosed