SCHEMBL3820146

SCHEMBL3820146

O=C(c1ccc(-c2ccccc2)cc1OC(F)(F)F)N1CCN(c2ncccn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 12/20 0.65
ALDH1A1 P00352 3/20 0.59
TSHR P16473 3/20 0.59
KDM4E B2RXH2 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SLC6A3 Q01959 1/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL3817716 0.84 SLC6A7 (0.63) SLC6A7ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL5935798 0.80 SLC6A7 (0.59) SLC6A7ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL4754060 0.80 SLC6A7 (0.67) SLC6A7ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL3572601 0.79 SLC6A7 (1.00) SLC6A7ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL3578419 0.75 SLC6A7 (0.77) SLC6A7ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL3580304 0.74 SLC6A7 (0.70) SLC6A7ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL28768954 0.73 GSTA1 (0.45)
SCHEMBL3817981 0.73 ALDH1A1 (0.64) SLC6A7ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL5823604 0.73 KDM4E (0.60) SLC6A7ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL3579156 0.73 SLC6A7 (0.75) SLC6A7ALDH1A1TSHRKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 EP claimed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO claimed
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed