SCHEMBL8297639

SCHEMBL8297639

NCCNC(=O)CCC(Cc1ccccc1)NC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.54
ROCK1 Q13464 3/20 0.54
MME P08473 2/20 0.50
CASR P41180 1/20 0.46
FPR2 P25090 8/20 0.45
LTA4H P09960 1/20 0.43
MMP2 P08253 2/20 0.43
MMEL1 Q495T6 1/20 0.43
CNR1 P21554 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 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
SCHEMBL14519537 1.00 ROCK2 (0.54) ROCK2ROCK1MMECASRFPR2
SCHEMBL8295559 1.00 ROCK2 (0.54) ROCK2ROCK1MMECASRFPR2
SCHEMBL14519538 0.94 ROCK2 (0.52) ROCK2ROCK1MMECASRFPR2
SCHEMBL8296808 0.89 LTA4H (0.59) ROCK2ROCK1FPR2LTA4H
SCHEMBL8297668 0.88 ROCK2 (0.53) ROCK2ROCK1MMECASRFPR2
SCHEMBL8297619 0.87 ROCK2 (0.52) ROCK2ROCK1MMECASRFPR2
SCHEMBL14543614 0.86 ROCK2 (0.51) ROCK2ROCK1MMECASRFPR2
SCHEMBL8295543 0.86 ROCK2 (0.51) ROCK2ROCK1MMECASRFPR2
SCHEMBL14519532 0.85 ROCK2 (0.50) ROCK2ROCK1MMECASRFPR2
SCHEMBL8296137 0.85 ROCK2 (0.49) 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 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