SCHEMBL11092534

SCHEMBL11092534

CCC1CNC(=O)N1c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR7 P34969 2/20 0.40
ME1 P48163 5/20 0.39
DRD4 P21917 1/20 0.38
ME2 P23368 4/20 0.38
ME3 Q16798 4/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL11090090 0.87 ALDH1A1 (0.42) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL8683030 0.77 ALOX5 (0.42) GAALMNASMN1; SMN2
SCHEMBL4714410 0.73 KIF11 (0.46) MAPTKDM4EGAATDP1KIF11
SCHEMBL3712105 0.70 KDM4E (0.50) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL7041242 0.69 MAPT (0.68) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL9462041 0.68 KDM4E (0.44) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL23550061 0.67 MAPT (0.49) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL9663925 0.67 KDM4E (0.43) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL17080506 0.67 FAAH (0.33) LMNA
SCHEMBL24452939 0.67 MAPT (0.67) MAPTKDM4EGAALMNAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0118138-A1 ((4-(4-(4-Phenyl-1-piperazinyl)phenoxymethyl)-1,3-dioxolan-2-yl)methyl)-1H-imidazoles and 1H-1,2,4-triazoles JANSSEN PHARMACEUTICA N.V. (BE) 1984-09-12 EP disclosed