SCHEMBL4789636

SCHEMBL4789636

O=C(c1ccc(-c2cccc(C(F)(F)CF)c2)cc1)N1CCCN(c2ncccn2)CC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 17/20 0.74
SLC6A3 Q01959 1/20 0.60
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL3575523 0.90 SLC6A7 (0.92) SLC6A7SLC6A3ALDH1A1TSHRL3MBTL1
SCHEMBL3578242 0.86 SLC6A7 (1.00) SLC6A7SLC6A3ALDH1A1TSHRL3MBTL1
SCHEMBL5823601 0.84 SLC6A7 (0.62) SLC6A7SLC6A3ALDH1A1TSHRL3MBTL1
SCHEMBL14182187 0.84 SLC6A7 (0.72) SLC6A7SLC6A3ALDH1A1TSHRL3MBTL1
SCHEMBL4789639 0.83 SLC6A7 (0.68) SLC6A7SLC6A3ALDH1A1TSHRL3MBTL1
SCHEMBL4391715 0.81 SLC6A7 (0.90) SLC6A7SLC6A3ALDH1A1TSHRL3MBTL1
SCHEMBL3583012 0.78 SLC6A7 (1.00) SLC6A7SLC6A3ALDH1A1TSHRL3MBTL1
SCHEMBL3572601 0.77 SLC6A7 (1.00) SLC6A7SLC6A3ALDH1A1TSHRL3MBTL1
SCHEMBL3586157 0.76 SLC6A7 (1.00) SLC6A7SLC6A3ALDH1A1TSHR
SCHEMBL3779038 0.76 SLC6A7 (0.79) SLC6A7SLC6A3ALDH1A1TSHR

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-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