SCHEMBL3874494

SCHEMBL3874494

O=C(c1ccccc1F)N1CCCC(c2ncc(-c3ccc(F)c(F)c3)o2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
POLB P06746 1/20 0.44
GRM5 P41594 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD11B1 P28845 4/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 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
SCHEMBL412917 0.90 MEN1 (0.54) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL3877890 0.83 ALOX5AP (0.45) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL3880121 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL3886420 0.79 HPGDS (0.52) MEN1KMT2AALOX5APFEN1HSD11B1
SCHEMBL3885085 0.79 ALOX5AP (0.49) MEN1KMT2AALDH1A1ALOX5APFEN1
SCHEMBL3873142 0.79 ALOX5AP (0.45) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL3881888 0.77 HSD11B1 (0.61) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL3874676 0.76 UBE2M (0.45) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL409440 0.75 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL2227173 0.74 GRM5 (0.50) MEN1KMT2ATSHRHTTLMNA

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-2030970-A1 Allosteric modulators of metabotropic glutamate receptors ADDEX Pharma S.A. (CH) 2009-03-04 EP claimed
EP-1685105-B1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2008-10-15 EP claimed