SCHEMBL13577652

SCHEMBL13577652

Cn1ncc2cc(NC3CCCN(Cc4cccc(CS(C)(=O)=O)c4)C3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.72
CCR2 P41597 2/20 0.53
ROCK1 Q13464 2/20 0.53

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
SCHEMBL225551 0.83 ROCK2 (1.00) ROCK2CCR2ROCK1
SCHEMBL2801924 0.83 ROCK2 (1.00) ROCK2CCR2ROCK1
SCHEMBL225552 0.83 ROCK2 (1.00) ROCK2CCR2ROCK1
SCHEMBL13106900 0.80 ROCK2 (0.55) ROCK2CCR2ROCK1
SCHEMBL3858258 0.76 ROCK2 (0.51) ROCK2CCR2ROCK1
SCHEMBL459599 0.75 ROCK2 (0.83) ROCK2CCR2ROCK1
SCHEMBL5412948 0.75 ROCK2 (0.62) ROCK2CCR2ROCK1
SCHEMBL660018 0.75 ROCK2 (1.00) ROCK2CCR2ROCK1
SCHEMBL459600 0.75 ROCK2 (0.83) ROCK2CCR2ROCK1
Hydrochloric Acid SCHEMBL5413188 0.74 ROCK2 (0.61) ROCK2CCR2ROCK1

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-2009158587-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed