SCHEMBL727698

SCHEMBL727698

O=C(O)N1CCC(Nc2cccc3cnccc23)C1.O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.52
ROCK1 Q13464 8/20 0.49
CCR2 P41597 6/20 0.47

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
SCHEMBL1509653 0.90 ROCK2 (0.48) ROCK2ROCK1CCR2
SCHEMBL1509607 0.90 ROCK2 (0.48) ROCK2ROCK1CCR2
SCHEMBL528761 0.87 ROCK2 (0.63) ROCK2ROCK1CCR2
SCHEMBL727699 0.83 ROCK2 (0.46) ROCK2ROCK1CCR2
SCHEMBL4428205 0.83 ROCK2 (0.61) ROCK2ROCK1CCR2
SCHEMBL4428211 0.83 ROCK2 (0.61) ROCK2ROCK1CCR2
SCHEMBL13633468 0.78 ROCK2 (0.62) ROCK2ROCK1CCR2
SCHEMBL528598 0.77 ROCK2 (0.54) ROCK2ROCK1CCR2
SCHEMBL659539 0.77 ROCK2 (0.54) ROCK2ROCK1CCR2
SCHEMBL23360612 0.77 ROCK2 (0.48) ROCK2ROCK1CCR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524909-A 2011-09-08 JP claimed
EP-2291077-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS Inspire Pharmaceuticals, Inc. (US) 2011-03-09 EP claimed
WO-2009154940-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-23 WO claimed
EP-2291077-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS Inspire Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
WO-2009154940-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed