SCHEMBL7688903

SCHEMBL7688903

C#CCOc1cc(CN2CCCC2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
DRD2 P14416 1/20 0.50
GAA P10253 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
ACHE P22303 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL7680831 0.82 DRD2 (0.64) KDM4EALDH1A1DRD2GAAMEN1
SCHEMBL3414057 0.81 KDM4E (0.77) KDM4EALDH1A1TSHRGAATDP1
SCHEMBL6131905 0.81 DRD2 (0.63) KDM4EALDH1A1DRD2GAAMEN1
Hydrochloric Acid SCHEMBL6132064 0.81 DRD2 (0.63) KDM4EALDH1A1DRD2GAAMEN1
Bromide SCHEMBL6132084 0.80 DRD2 (0.61) KDM4EALDH1A1DRD2GAAMEN1
SCHEMBL3377350 0.78 GAA (0.67) KDM4EALDH1A1GAATDP1LMNA
SCHEMBL5667126 0.77 DRD2 (0.47) KDM4EDRD2HRH3MEN1KMT2A
SCHEMBL4150936 0.77 GAA (0.69) KDM4EALDH1A1GAALMNAHTT
SCHEMBL21709064 0.75 TAAR1 (0.58) KDM4EALDH1A1TSHRDRD2GAA
SCHEMBL7379184 0.73 HRH3 (0.59) KDM4EALDH1A1TSHRACHEHRH3

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
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed