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SCHEMBL25528478

SCHEMBL25528478

Cc1ccc(C(=O)OC2(CNC(=O)c3cccc(CN4C(=O)c5ccc(-c6ccncc6)cc5N(C)C(=O)[C@H]4C)c3)CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 10/20 0.41
▸ ROCK1 Q13464 5/20 0.41
▸ CACNA1G O43497 4/20 0.35
▸ BRD4 O60885 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KLK1 P06870 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP46A1 Q9Y6A2 1/20 0.32

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
SCHEMBL25528189 0.85 ROCK2 (0.40) ROCK2ROCK1CACNA1GKDM4E
SCHEMBL25532225 0.85 ROCK2 (0.40) ROCK2ROCK1CACNA1G
SCHEMBL25528474 0.82 ROCK2 (0.41) ROCK2ROCK1BRD4CYP46A1
SCHEMBL25528837 0.81 ROCK2 (0.32) ROCK2ROCK1BRD4
SCHEMBL25528844 0.79 ROCK2 (0.42) ROCK2ROCK1AURKA
SCHEMBL25529500 0.79 ROCK2 (0.59) ROCK2ROCK1BRD4KDM4E
SCHEMBL25529068 0.78 ROCK2 (0.43) ROCK2ROCK1AURKA
SCHEMBL25528185 0.78 ROCK2 (0.43) ROCK2ROCK1AURKA
SCHEMBL25528831 0.77 HTR7 (0.36) ROCK2ROCK1BRD4AURKA
SCHEMBL25529501 0.77 ROCK1 (0.47) ROCK2ROCK1BRD4

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