SCHEMBL5045260

SCHEMBL5045260

CCCCCCCCCCCCNC(=O)c1cc(Br)c(C[N]Cc2cccc(OC(F)(F)F)c2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
MAPK14 Q16539 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
MLYCD O95822 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
NAAA Q02083 1/20 0.41
DDR1 Q08345 1/20 0.41
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
AKR1C3 P42330 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL5045263 0.87 MAPK14 (0.48) NAMPTTRPV1MAPK14HDAC3HDAC1
SCHEMBL5043670 0.86 ALDH1A1 (0.50) NAMPTHDAC3HDAC1MLYCDNAAA
SCHEMBL1851514 0.83 NAMPT (0.43) NAMPTTRPV1MAPK14HDAC3HDAC1
SCHEMBL5039488 0.82 MLYCD (0.49) NAMPTHDAC3HDAC1MLYCDNAAA
SCHEMBL5044232 0.80 MAPK14 (0.49) NAMPTTRPV1MAPK14HDAC3HDAC1
SCHEMBL6022083 0.80 TRPV1 (0.48) NAMPTTRPV1HDAC3HDAC1MLYCD
SCHEMBL6022121 0.79 GPR139 (0.43) NAMPTTRPV1MAPK14HDAC3HDAC1
SCHEMBL4323998 0.76 NAMPT (0.43) NAMPTTRPV1MAPK14HDAC3HDAC1
SCHEMBL6023308 0.76 MAPK14 (0.51) NAMPTTRPV1MAPK14HDAC1ROCK2
SCHEMBL5044051 0.75 ALDH1A1 (0.51) NAMPTHDAC3HDAC1MLYCDROCK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945718-A1 COMPOSITION, FILM AND LIQUID CRYSTAL DISPLAY FUJIFILM Corporation (JP) 2008-07-23 EP disclosed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
WO-2007055417-A1 COMPOSITION, FILM AND LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2007-05-18 WO disclosed