SCHEMBL5044038

SCHEMBL5044038

CCCCCCCCCCCCNC(=O)c1ccc([CH]Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
MGLL Q99685 2/20 0.51
NAAA Q02083 2/20 0.50
SIGMAR1 Q99720 2/20 0.48
NAMPT P43490 1/20 0.48
MLYCD O95822 1/20 0.48
CA2 P00918 1/20 0.47
EPHX2 P34913 1/20 0.46
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL22265515 0.87 L3MBTL1 (0.68) L3MBTL1MGLLNAAASIGMAR1NAMPT
SCHEMBL28929238 0.87 L3MBTL1 (0.68) L3MBTL1MGLLNAAASIGMAR1NAMPT
SCHEMBL5048059 0.83 HDAC1 (0.58) L3MBTL1NAAANAMPTMLYCDCA2
SCHEMBL6358663 0.81 MGLL (0.62) L3MBTL1MGLLNAAASIGMAR1NAMPT
SCHEMBL5140092 0.81 L3MBTL1 (0.51) L3MBTL1NAAAMLYCDCA2HDAC3
SCHEMBL5132927 0.80 NAAA (0.61) L3MBTL1NAAANAMPTMLYCDHDAC3
SCHEMBL5546309 0.80 NAMPT (0.67) L3MBTL1MGLLSIGMAR1NAMPTEPHX2
SCHEMBL5515823 0.80 NAMPT (0.67) L3MBTL1MGLLSIGMAR1NAMPTEPHX2
SCHEMBL20707157 0.80 NAMPT (0.67) L3MBTL1MGLLSIGMAR1NAMPTEPHX2
SCHEMBL5543873 0.80 NAMPT (0.67) L3MBTL1MGLLSIGMAR1NAMPTEPHX2

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