SCHEMBL13798707

SCHEMBL13798707

COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3ccncc3)cc1N(C)CCNCCO)CO2

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.67
ROCK1 Q13464 9/20 0.67
CDC42BPA Q5VT25 4/20 0.53
LMNA P02545 3/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL1986250 0.90 ROCK2 (0.76) ROCK2ROCK1CDC42BPALMNATP53
SCHEMBL12562593 0.85 ROCK2 (0.64) ROCK2ROCK1CDC42BPALMNATP53
SCHEMBL12562384 0.80 ROCK2 (1.00) ROCK2ROCK1CDC42BPA
SCHEMBL12562389 0.79 ROCK2 (0.76) ROCK2ROCK1CDC42BPALMNATP53
SCHEMBL1990202 0.79 ROCK2 (0.77) ROCK2ROCK1CDC42BPA
SCHEMBL1987125 0.78 ROCK2 (0.68) ROCK2ROCK1CDC42BPALMNATP53
SCHEMBL1987128 0.77 ROCK2 (0.60) ROCK2ROCK1CDC42BPALMNATP53
SCHEMBL12562597 0.75 ROCK2 (0.75) ROCK2ROCK1CDC42BPA
SCHEMBL13457023 0.75 ROCK2 (0.65) ROCK2ROCK1CDC42BPALMNATP53
SCHEMBL1987998 0.74 ROCK2 (0.67) ROCK2ROCK1CDC42BPA

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-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 WO disclosed