SCHEMBL25528647

SCHEMBL25528647

C[C@@H]1C(=O)N(C)c2cc(-c3ccncc3)ccc2C(=O)N1Cc1cc(Br)cc(C(=O)NCC2CC(OC(=O)C(C)(C)C)C2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.33
ROCK1 Q13464 2/20 0.33
CACNA1I Q9P0X4 1/20 0.31
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL25528621 0.92 CACNA1H (0.36) ROCK2ROCK1USP30
SCHEMBL25532518 0.92 CACNA1H (0.36) ROCK2ROCK1USP30
SCHEMBL25528945 0.92 CACNA1H (0.36) ROCK2ROCK1USP30
SCHEMBL25528921 0.91 ROCK2 (0.41) ROCK2ROCK1
SCHEMBL25532515 0.87 ROCK2 (0.33) ROCK2ROCK1
SCHEMBL25528938 0.86 ROCK2 (0.32) ROCK2ROCK1
SCHEMBL25528948 0.86 ROCK2 (0.33) ROCK2ROCK1
SCHEMBL25531296 0.84 ROCK2 (0.33) ROCK2ROCK1USP30
SCHEMBL25531285 0.84 ROCK2 (0.33) ROCK2ROCK1USP30
SCHEMBL25528922 0.83 CACNA1H (0.35) ROCK2ROCK1USP30

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