SCHEMBL25529692

SCHEMBL25529692

CCNC(=O)c1cccc(CN2C(=O)c3ccc(-c4cn[nH]c4)cc3N(C)C(=O)[C@H]2C)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.52
ROCK1 Q13464 18/20 0.52

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
SCHEMBL25529693 0.88 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL25528328 0.84 BRD4 (0.43) ROCK2ROCK1
SCHEMBL25528340 0.78 PARP1 (0.44) ROCK2ROCK1
SCHEMBL25528337 0.77 BRD4 (0.39) ROCK2ROCK1
SCHEMBL25529500 0.77 ROCK2 (0.59) ROCK2ROCK1
SCHEMBL25529068 0.76 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL25528185 0.76 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL25528333 0.76 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL25529501 0.75 ROCK1 (0.47) ROCK2ROCK1
SCHEMBL25530880 0.74 ROCK1 (0.48) 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
WO-2023093787-A1 BENZODIAZEPINE COMPOUND AND APPLICATION THEREOF AS RHO KINASE INHIBITOR 成都奥睿药业有限公司 2023-06-01 WO disclosed