SCHEMBL5040331

SCHEMBL5040331

CCCCCCCCCCCCNC(=O)c1cccc(CN(O)Cc2ccc(O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
NAAA Q02083 3/20 0.53
SIGMAR1 Q99720 5/20 0.48
TMEM97 Q5BJF2 4/20 0.48
CNR2 P34972 2/20 0.47
ESRRG P62508 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 4/20 0.46
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL5039921 0.92 SMN1; SMN2 (0.56) SMN1; SMN2NAAASIGMAR1TMEM97L3MBTL1
SCHEMBL5039808 0.88 GAA (0.56) SMN1; SMN2NAAASIGMAR1
SCHEMBL5041082 0.88 NAAA (0.60) SMN1; SMN2NAAASIGMAR1TMEM97CNR2
SCHEMBL1858834 0.87 NAAA (0.52) SMN1; SMN2NAAASIGMAR1TMEM97CNR2
SCHEMBL5039801 0.87 SIGMAR1 (0.53) SMN1; SMN2NAAASIGMAR1TMEM97HDAC3
SCHEMBL5045478 0.86 NAAA (0.54) SMN1; SMN2NAAASIGMAR1TMEM97
SCHEMBL5044104 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NAAASIGMAR1TMEM97L3MBTL1
SCHEMBL28752189 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NAAACNR2L3MBTL1HDAC3
SCHEMBL5044747 0.84 HDAC2 (0.52) SMN1; SMN2NAAAHDAC8
SCHEMBL5047548 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NAAASIGMAR1TMEM97L3MBTL1

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