SCHEMBL4774277

SCHEMBL4774277

N#Cc1ccc(-n2cc(C(=O)O)c(C(F)(F)F)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.44
AR P10275 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3829929 0.85 NOTUM (0.48) DGAT1
SCHEMBL408898 0.83 DGAT1 (0.48) DGAT1
SCHEMBL408273 0.83 DGAT1 (0.54) DGAT1
SCHEMBL6178854 0.82 DGAT1 (0.51) DGAT1NPSR1
SCHEMBL14319143 0.82 DGAT1 (0.45) DGAT1
SCHEMBL407419 0.82 DGAT1 (0.54) DGAT1
SCHEMBL6603948 0.81 AR (0.43) AR
SCHEMBL4293751 0.80 ALDH1A1 (0.54) DGAT1NPSR1
SCHEMBL29333627 0.79 ALDH1A1 (0.42) NPSR1
SCHEMBL6741238 0.78 L3MBTL1 (0.57) DGAT1

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
WO-2008157273-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP disclosed