SCHEMBL5823604

SCHEMBL5823604

O=C(c1ccc(-c2cccc(CC(F)(F)F)c2)cc1F)N1CCN(c2ncccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
SLC6A7 Q99884 11/20 0.55
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
SLC6A3 Q01959 1/20 0.50
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3578419 0.84 SLC6A7 (0.77) KDM4ESLC6A7ALDH1A1L3MBTL1SLC6A3
SCHEMBL4789639 0.84 SLC6A7 (0.68) KDM4ESLC6A7ALDH1A1L3MBTL1SLC6A3
SCHEMBL5823601 0.83 SLC6A7 (0.62) KDM4ESLC6A7ALDH1A1L3MBTL1SLC6A3
SCHEMBL3580304 0.79 SLC6A7 (0.70) KDM4ESLC6A7ALDH1A1L3MBTL1SLC6A3
SCHEMBL3817716 0.75 SLC6A7 (0.63) KDM4ESLC6A7ALDH1A1L3MBTL1SLC6A3
SCHEMBL3628401 0.73 SLC6A7 (0.70) KDM4ESLC6A7ALDH1A1L3MBTL1SLC6A3
SCHEMBL3820146 0.73 SLC6A7 (0.65) KDM4ESLC6A7ALDH1A1L3MBTL1SLC6A3
SCHEMBL4695977 0.72 SLC6A7 (0.62) KDM4ESLC6A7ALDH1A1L3MBTL1DRD2
SCHEMBL14182187 0.72 SLC6A7 (0.72) KDM4ESLC6A7ALDH1A1L3MBTL1SLC6A3
SCHEMBL5935798 0.72 SLC6A7 (0.59) KDM4ESLC6A7ALDH1A1L3MBTL1SLC6A3

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
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed