SCHEMBL169302

SCHEMBL169302

CCCC(=O)Oc1ccc(C(C(=O)Nc2ccc3cnccc3c2)C(N)C(C(=O)O)C2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.51
ROCK1 Q13464 2/20 0.44

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
SCHEMBL13074766 0.77 ROCK2 (0.82) ROCK2ROCK1
SCHEMBL13074674 0.73 ROCK2 (0.76) ROCK2ROCK1
SCHEMBL13764333 0.73 ROCK2 (0.61) ROCK2ROCK1
SCHEMBL116572 0.72 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL13764335 0.72 ROCK2 (0.60) ROCK2ROCK1
SCHEMBL118246 0.71 ROCK2 (0.55) ROCK2ROCK1
SCHEMBL169303 0.71 ROCK2 (0.57) ROCK2ROCK1
SCHEMBL19921907 0.70 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL19921913 0.70 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL30846657 0.70 PRMT3 (0.56) 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 3 patents. 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
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 WO disclosed