SCHEMBL5047241

SCHEMBL5047241

CCCCCCCCCCCCCCCNC(=O)c1ccc(CN(CC(=O)O)Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.56
SIGMAR1 Q99720 3/20 0.56
MLYCD O95822 1/20 0.56
NAAA Q02083 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
LSS P48449 1/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX2 P34913 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
MCHR1 Q99705 1/20 0.47
CA2 P00918 1/20 0.46
NAMPT P43490 1/20 0.46
PLK1 P53350 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 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
SCHEMBL6718419 0.90 MLYCD (0.60) TMEM97SIGMAR1MLYCDNAAAL3MBTL1
SCHEMBL1852987 0.84 TMEM97 (0.56) TMEM97SIGMAR1MLYCDNAAAL3MBTL1
SCHEMBL1853427 0.84 TMEM97 (0.56) TMEM97SIGMAR1MLYCDNAAAL3MBTL1
SCHEMBL28929298 0.84 MLYCD (0.76) TMEM97SIGMAR1MLYCDNAAAL3MBTL1
SCHEMBL13577932 0.83 MLYCD (0.73) TMEM97SIGMAR1MLYCDNAAAL3MBTL1
SCHEMBL6717461 0.82 MLYCD (0.56) TMEM97SIGMAR1MLYCDNAAAL3MBTL1
SCHEMBL1851364 0.82 TMEM97 (0.53) TMEM97SIGMAR1MLYCDNAAAL3MBTL1
SCHEMBL1853434 0.82 TMEM97 (0.53) TMEM97SIGMAR1MLYCDNAAAL3MBTL1
SCHEMBL1853153 0.82 TMEM97 (0.53) TMEM97SIGMAR1MLYCDNAAAL3MBTL1
Water SCHEMBL27619617 0.81 TMEM97 (0.51) TMEM97SIGMAR1MLYCDNAAAL3MBTL1

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