SCHEMBL118441

SCHEMBL118441

CCCC(=O)OC(c1ccccc1)C(CN)C(=O)Nc1ccc2cnccc2c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.62
ROCK1 Q13464 2/20 0.62

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
SCHEMBL23927643 0.81 ROCK2 (0.64) ROCK2ROCK1
SCHEMBL114227 0.80 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL115610 0.78 ROCK2 (0.55) ROCK2ROCK1
Toluic Acid SCHEMBL117757 0.78 ROCK2 (0.60) ROCK2ROCK1
SCHEMBL21514529 0.77 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL21514522 0.77 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL2775991 0.77 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL21514825 0.77 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL21430542 0.77 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL13074766 0.77 ROCK2 (0.82) ROCK2ROCK1

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
EP-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed