SCHEMBL3885641

SCHEMBL3885641

O=C(c1ccccc1F)N1CCCC(n2cc(-c3ccc(F)c(F)c3)cn2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
PAK1 Q13153 1/20 0.43
BTK Q06187 3/20 0.42
GRM5 P41594 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KDM2A Q9Y2K7 3/20 0.39
KDM6B O15054 2/20 0.39
KDM4A O75164 2/20 0.39
KDM5C P41229 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM3A Q9Y4C1 1/20 0.39

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
SCHEMBL414961 0.90 HSD11B1 (0.46) MEN1KMT2APAK1BTKGRM5
SCHEMBL3875010 0.80 ALOX5AP (0.45) MEN1KMT2AALOX5APFEN1GRM5
SCHEMBL3887575 0.79 NPC1 (0.42) MEN1KMT2AGRM5POLB
SCHEMBL408938 0.76 GRM5 (0.54) MEN1KMT2ABTKGRM5KDM4E
SCHEMBL3887570 0.76 GRM5 (0.54) MEN1KMT2ABTKGRM5KDM4E
SCHEMBL3877890 0.74 ALOX5AP (0.45) MEN1KMT2AALOX5APFEN1GRM5
SCHEMBL28761878 0.74 BTK (0.44) BTKGRM5POLBTSHR
SCHEMBL3886420 0.74 HPGDS (0.52) MEN1KMT2AALOX5APFEN1
SCHEMBL3874494 0.74 MEN1 (0.48) MEN1KMT2AALOX5APFEN1GRM5
SCHEMBL3885085 0.74 ALOX5AP (0.49) MEN1KMT2AALOX5APFEN1GRM5

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