SCHEMBL8296137

SCHEMBL8296137

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
LMNA P02545 1/20 0.47
MME P08473 1/20 0.46
GAA P10253 1/20 0.46
MCHR1 Q99705 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
CASR P41180 1/20 0.42
UTS2R Q9UKP6 1/20 0.42
GLS O94925 1/20 0.42
FPR2 P25090 6/20 0.41
SIRT2 Q8IXJ6 1/20 0.40

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) ROCK2ROCK1LMNAMMEGAA
SCHEMBL14519573 0.88 ROCK2 (0.49) ROCK2ROCK1MMEMCHR1CASR
SCHEMBL8297911 0.88 ROCK2 (0.49) ROCK2ROCK1MMEMCHR1CASR
SCHEMBL14519491 0.86 MME (0.41) ROCK2ROCK1LMNAMMEGAA
SCHEMBL8297654 0.86 ALDH1A1 (0.51) ROCK2ROCK1LMNAMMEGAA
SCHEMBL14543614 0.86 ROCK2 (0.51) ROCK2ROCK1MMECASRFPR2
SCHEMBL8297668 0.86 ROCK2 (0.53) ROCK2ROCK1MMECASRFPR2
SCHEMBL14519532 0.85 ROCK2 (0.50) ROCK2ROCK1MMECASRFPR2
SCHEMBL8297639 0.85 ROCK2 (0.54) ROCK2ROCK1MMECASRFPR2
SCHEMBL8295559 0.85 ROCK2 (0.54) ROCK2ROCK1MMECASRFPR2

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