SCHEMBL3872631

SCHEMBL3872631

O=C(NC1CCCN(C(=O)c2ccc(F)c(F)c2)C1)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.52
GRM5 P41594 1/20 0.51
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 2/20 0.48
DPP4 P27487 1/20 0.47
KCNH2 Q12809 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
NPC1 O15118 1/20 0.47
EPHX2 P34913 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL409828 0.89 NPC1 (0.56) KDM5AGRM5KMT2AALDH1A1MEN1
SCHEMBL27305516 0.76 DPP4 (0.54) KMT2ADPP4KCNH2DPP7POLB
SCHEMBL412447 0.75 NPC1 (0.62) KDM5AGRM5KMT2ANPC1EPHX2
SCHEMBL3316788 0.75 MEN1 (0.57) KDM5AKMT2AALDH1A1HPGDMEN1
SCHEMBL3316785 0.75 MEN1 (0.57) KDM5AKMT2AALDH1A1HPGDMEN1
SCHEMBL3390856 0.75 KMT2A (0.55) KMT2AALDH1A1MEN1
SCHEMBL3390861 0.75 KMT2A (0.55) KMT2AALDH1A1MEN1
SCHEMBL3887575 0.74 NPC1 (0.42) KDM5AGRM5KMT2AMEN1NPC1
SCHEMBL29067099 0.74 KMT2A (0.52) KMT2A
SCHEMBL29067104 0.74 KMT2A (0.52) KMT2A

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