SCHEMBL5044228

SCHEMBL5044228

CCCCCCCCCCCCNC(=O)c1ccc(CC([NH])c2cccc(OC(F)(F)F)c2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
MLYCD O95822 1/20 0.44
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
GPR139 Q6DWJ6 1/20 0.42
DDR1 Q08345 2/20 0.42
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MCHR1 Q99705 1/20 0.39
NAAA Q02083 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HDAC2 Q92769 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 1/20 0.38
F3 P13726 1/20 0.38

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
SCHEMBL5044218 0.90 MLYCD (0.47) NAMPTMLYCDHDAC3HDAC1PDK1
SCHEMBL5045572 0.87 ALDH1A1 (0.49) NAMPTMLYCDHDAC3HDAC1GPR139
SCHEMBL5044617 0.84 ROCK2 (0.47) NAMPTMLYCDHDAC3HDAC1GPR139
SCHEMBL5048870 0.82 MLYCD (0.52) NAMPTMLYCDHDAC3HDAC1PDK1
SCHEMBL5044232 0.81 MAPK14 (0.49) NAMPTMLYCDHDAC3HDAC1DDR1
SCHEMBL6022121 0.80 GPR139 (0.43) NAMPTMLYCDHDAC3HDAC1GPR139
SCHEMBL6023237 0.78 EPHX2 (0.49) NAMPTHDAC3HDAC1SMN1; SMN2TRPV1
SCHEMBL6023307 0.77 HTR2C (0.44) NAMPTGPR139DDR1TRPV1
SCHEMBL6022083 0.77 TRPV1 (0.48) NAMPTMLYCDHDAC3HDAC1TRPV1
SCHEMBL4323998 0.77 NAMPT (0.43) NAMPTMLYCDHDAC3HDAC1DDR1

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