SCHEMBL4536683

SCHEMBL4536683

NC(=O)CC1CCCCN1[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.31

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
SCHEMBL4541407 0.95 FFAR1 (0.36) FFAR1TSHRL3MBTL1
SCHEMBL6883859 0.74 FFAR1 (0.56) FFAR1
SCHEMBL4535960 0.71 LTA4H (0.34) TSHRL3MBTL1
SCHEMBL5372941 0.71 L3MBTL1 (0.35) TSHRL3MBTL1
SCHEMBL15807936 0.69 CYP1A2 (0.47) L3MBTL1
SCHEMBL22388832 0.69 CYP1A2 (0.47) L3MBTL1
SCHEMBL4537514 0.69 LTA4H (0.38) TSHR
SCHEMBL1778386 0.68 L3MBTL1 (0.40) L3MBTL1
SCHEMBL1778381 0.68 L3MBTL1 (0.40) L3MBTL1
SCHEMBL3640235 0.68 FFAR1 (0.44) FFAR1

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-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed