SCHEMBL25528189

SCHEMBL25528189

Cc1ccc(C(=O)OC2CC(CNC(=O)c3cccc(CN4C(=O)c5ccc(-c6ccncc6)cc5N(C)C(=O)[C@H]4C)c3)C2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.40
ROCK1 Q13464 5/20 0.40
CACNA1G O43497 4/20 0.35
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL25532225 0.94 ROCK2 (0.40) ROCK2ROCK1CACNA1G
SCHEMBL25532515 0.91 ROCK2 (0.33) ROCK2ROCK1
SCHEMBL25528479 0.91 CACNA1H (0.33) ROCK2ROCK1
SCHEMBL25529070 0.91 CACNA1H (0.33) ROCK2ROCK1
SCHEMBL25528346 0.90 ROCK2 (0.36) ROCK2ROCK1CACNA1GKDM4E
SCHEMBL25528619 0.89 ROCK2 (0.40) ROCK2ROCK1
SCHEMBL25528480 0.89 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL25528921 0.87 ROCK2 (0.41) ROCK2ROCK1
SCHEMBL25530084 0.87 ROCK2 (0.41) ROCK2ROCK1
SCHEMBL25528474 0.86 ROCK2 (0.41) 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