SCHEMBL28404271

SCHEMBL28404271

NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(CO[N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.73
ROCK1 Q13464 8/20 0.73

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
SCHEMBL23963838 0.90 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL21790245 0.87 ROCK2 (0.79) ROCK2ROCK1
SCHEMBL21790249 0.87 ROCK2 (0.79) ROCK2ROCK1
SCHEMBL21790286 0.85 ROCK2 (0.76) ROCK2ROCK1
SCHEMBL21790292 0.85 ROCK2 (0.76) ROCK2ROCK1
SCHEMBL19932282 0.85 ROCK2 (0.76) ROCK2ROCK1
SCHEMBL23633797 0.84 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL23866454 0.83 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL23927641 0.83 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL2775983 0.83 ROCK2 (1.00) 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
CN-111217834-B Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2021-10-26 CN claimed
CN-111217834-B Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2021-10-26 CN disclosed
CN-111217834-A Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2020-06-02 CN disclosed