SCHEMBL5044232

SCHEMBL5044232

CCCCCCCCCCCCNC(=O)c1ccc(CNCc2cccc(OC(F)(F)F)c2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.49
MLYCD O95822 1/20 0.48
ROCK2 O75116 4/20 0.47
NAMPT P43490 2/20 0.47
ROCK1 Q13464 2/20 0.47
DDR1 Q08345 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HASPIN Q8TF76 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2C P28335 1/20 0.41
USP28 Q96RU2 1/20 0.41
USP25 Q9UHP3 1/20 0.41
KCNB1 Q14721 1/20 0.41

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
SCHEMBL5044219 0.90 MLYCD (0.48) MLYCDHDAC1HDAC3TRPV1HPGD
SCHEMBL5045263 0.89 MAPK14 (0.48) MAPK14MLYCDROCK2NAMPTROCK1
SCHEMBL5044055 0.86 MLYCD (0.51) MAPK14MLYCDNAMPTDDR1HDAC1
SCHEMBL4323998 0.85 NAMPT (0.43) MAPK14MLYCDROCK2NAMPTROCK1
SCHEMBL27619621 0.81 NAAA (0.48) MAPK14HDAC1HDAC3LMNAHPGD
SCHEMBL5048873 0.81 MLYCD (0.54) MLYCDNAMPTHDAC1HDAC3HPGD
SCHEMBL5044228 0.81 NAMPT (0.46) MLYCDNAMPTDDR1HDAC1HDAC3
SCHEMBL5044609 0.80 EPHX2 (0.52) NAMPTHDAC1HDAC3TRPV1HPGD
SCHEMBL6022083 0.80 TRPV1 (0.48) MLYCDNAMPTHDAC1HDAC3TRPV1
SCHEMBL5045260 0.80 NAMPT (0.46) MAPK14MLYCDROCK2NAMPTROCK1

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