SCHEMBL14543798

SCHEMBL14543798

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.46
UTS2R Q9UKP6 2/20 0.42
ALDH1A1 P00352 1/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MCHR1 Q99705 1/20 0.39
ATM Q13315 1/20 0.39
F7 P08709 1/20 0.39
KIFC1 Q9BW19 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP14 P50281 1/20 0.38
LTA4H P09960 1/20 0.38
ACE P12821 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
SCHEMBL8297783 0.90 MME (0.44) MMEALDH1A1ROCK2ROCK1ITGB3
SCHEMBL8297036 0.86 MME (0.48) MMEROCK2ROCK1ITGB3ITGA2B
SCHEMBL8297654 0.84 ALDH1A1 (0.51) MMEUTS2RALDH1A1ROCK2ROCK1
SCHEMBL8295566 0.84 MME (0.42) MMEUTS2RALDH1A1ROCK2ROCK1
SCHEMBL14543692 0.82 HTR3A (0.47) MMEALDH1A1MCHR1
SCHEMBL8296117 0.82 HTR3A (0.47) MMEALDH1A1MCHR1
SCHEMBL8295548 0.82 HTR3A (0.47) MMEALDH1A1MCHR1
SCHEMBL14519573 0.80 ROCK2 (0.49) MMEUTS2RROCK2ROCK1MCHR1
SCHEMBL8296137 0.80 ROCK2 (0.49) MMEUTS2RROCK2ROCK1MCHR1
SCHEMBL8297911 0.80 ROCK2 (0.49) MMEUTS2RROCK2ROCK1MCHR1

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
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed