SCHEMBL8297783

SCHEMBL8297783

CCN(CC)CCNC(=O)CC[C@H](Cc1ccccc1)NC(=N)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
MCHR1 Q99705 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
GLS O94925 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP8 P22894 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
IGF1R P08069 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NFKB1 P19838 1/20 0.38
KCNH2 Q12809 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
SCHEMBL8296137 0.90 ROCK2 (0.49) MMEGAALMNATDP1MCHR1
SCHEMBL14543798 0.90 MME (0.46) MMEMCHR1L3MBTL1ROCK2ROCK1
SCHEMBL14519491 0.85 MME (0.41) MMEGAALMNATDP1MCHR1
SCHEMBL8297036 0.85 MME (0.48) MMEROCK2ROCK1ITGB3ITGA2B
SCHEMBL8296117 0.80 HTR3A (0.47) MMELMNAMCHR1GLSALDH1A1
SCHEMBL8295548 0.80 HTR3A (0.47) MMELMNAMCHR1GLSALDH1A1
SCHEMBL14543692 0.80 HTR3A (0.47) MMELMNAMCHR1GLSALDH1A1
SCHEMBL14519573 0.79 ROCK2 (0.49) MMEMCHR1ROCK2ROCK1MMP8
SCHEMBL8297911 0.79 ROCK2 (0.49) MMEMCHR1ROCK2ROCK1MMP8
SCHEMBL5407052 0.77 LMNA (0.56) LMNAMCHR1L3MBTL1

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
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO disclosed