SCHEMBL5048321

SCHEMBL5048321

CCCCCCCCCCCCNC(=O)c1ccc(CN(O)Cc2ccccc2OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
APP P05067 6/20 0.51
ACHE P22303 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
BCHE P06276 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
TMEM97 Q5BJF2 1/20 0.48
HDAC1 Q13547 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL1853858 0.86 NAAA (0.52) NAAAAPPACHEL3MBTL1BCHE
SCHEMBL5044501 0.85 NAAA (0.55) NAAAL3MBTL1SIGMAR1TMEM97HDAC1
SCHEMBL5048884 0.85 NAAA (0.55) NAAAL3MBTL1SIGMAR1TMEM97HDAC1
SCHEMBL5040097 0.84 NPC1 (0.68) NAAAAPPL3MBTL1SIGMAR1HDAC1
SCHEMBL27601082 0.83 ACHE (0.61) NAAAACHEBCHEHDAC1
SCHEMBL5044268 0.81 NAAA (0.60) NAAAL3MBTL1SIGMAR1TMEM97HDAC1
SCHEMBL5044615 0.81 TMEM97 (0.60) NAAAL3MBTL1SIGMAR1TMEM97
SCHEMBL1853317 0.78 NAAA (0.66) NAAAL3MBTL1SIGMAR1TMEM97HDAC1
SCHEMBL5045657 0.78 NAAA (0.71) NAAAL3MBTL1SIGMAR1TMEM97NPC1
SCHEMBL1857744 0.78 NAAA (0.53) NAAAL3MBTL1SIGMAR1TMEM97HDAC1

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed