SCHEMBL4597581

SCHEMBL4597581

O=C(c1ccc(F)c(F)c1F)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
GRM5 P41594 1/20 0.76
CLPP Q16740 1/20 0.76
POLB P06746 1/20 0.72
ALDH1A1 P00352 3/20 0.72
TSHR P16473 3/20 0.72
LMNA P02545 2/20 0.72
HTT P42858 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
NPSR1 Q6W5P4 2/20 0.69
HSD11B1 P28845 3/20 0.68
PKM P14618 1/20 0.66
MAPK1 P28482 2/20 0.62
TP53 P04637 1/20 0.62
ALOX15 P16050 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL194167 0.89 MEN1 (1.00) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL194168 0.89 MEN1 (1.00) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL193680 0.87 GRM5 (1.00) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL192098 0.87 GRM5 (1.00) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL192099 0.87 GRM5 (1.00) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL192923 0.86 GRM5 (0.82) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL192922 0.86 GRM5 (0.82) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL4151228 0.85 MEN1 (0.82) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL4151222 0.85 MEN1 (0.82) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL192774 0.85 GRM5 (0.84) MEN1KMT2AGRM5CLPPPOLB

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
EP-1896463-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-12 EP claimed
WO-2006123249-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO claimed