SCHEMBL5328494

SCHEMBL5328494

OCC1CN(c2ncccc2C(F)(F)F)CCN1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.64
HSD11B1 P28845 5/20 0.47
RBP4 P02753 1/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TRPV1 Q8NER1 3/20 0.44
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
FLT3 P36888 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5328497 1.00 EPHX2 (0.64) EPHX2HSD11B1RBP4GAAMAPT
SCHEMBL2418788 0.84 EPHX2 (0.55) EPHX2HSD11B1RBP4GAAMAPT
SCHEMBL1457210 0.82 EPHX2 (0.66) EPHX2HSD11B1GAAMAPTTSHR
SCHEMBL1734757 0.82 EPHX2 (0.66) EPHX2HSD11B1GAAMAPTTSHR
SCHEMBL3630668 0.82 EPHX2 (0.66) EPHX2HSD11B1GAAMAPTTSHR
SCHEMBL233710 0.79 EPHX2 (1.00) EPHX2HSD11B1GAAMAPTTSHR
Hydrochloric Acid SCHEMBL10319192 0.77 EPHX2 (0.97) EPHX2HSD11B1GAAMAPTTSHR
Piperazine SCHEMBL5324447 0.77 EPHX2 (0.97) EPHX2HSD11B1GAAMAPTTSHR
SCHEMBL5356587 0.74 EPHX2 (0.89) EPHX2HSD11B1GAAMAPTTSHR
SCHEMBL14973800 0.73 EPHX2 (0.59) EPHX2HSD11B1RBP4GAAMAPT

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
WO-2007135427-A1 1,4-DISUBSTITUTED PIPERAZINE AND 1,4-DISUBSTITUTED AZEPANE AS 11 -BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS ASTRAZENECA AB (SE) 2007-11-29 WO disclosed
WO-2007135427-A1 1,4-DISUBSTITUTED PIPERAZINE AND 1,4-DISUBSTITUTED AZEPANE AS 11 -BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS ASTRAZENECA AB (SE) 2007-11-29 WO disclosed