SCHEMBL25528839

SCHEMBL25528839

Cc1ccc(C(=O)OC2CCC(CNC(=O)c3cc(F)cc(CN4C(=O)c5ccc(-c6ccncc6)cc5N(C)C(=O)[C@H]4C)c3)CC2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.34
ROCK2 O75116 6/20 0.33
MAPK14 Q16539 5/20 0.33
ROCK1 Q13464 2/20 0.32
BRD4 O60885 1/20 0.32
GABRA5 P31644 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 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
SCHEMBL25528479 0.94 CACNA1H (0.33) F10ROCK2MAPK14ROCK1BRD4
SCHEMBL25529070 0.94 CACNA1H (0.33) F10ROCK2MAPK14ROCK1BRD4
SCHEMBL25532225 0.92 ROCK2 (0.40) ROCK2ROCK1
SCHEMBL25532515 0.87 ROCK2 (0.33) ROCK2ROCK1BRD4
SCHEMBL25528924 0.86 CACNA1H (0.37) F10ROCK2ROCK1GAA
SCHEMBL25528750 0.86 ROCK2 (0.33) ROCK2ROCK1BRD4
SCHEMBL25528189 0.86 ROCK2 (0.40) ROCK2ROCK1
SCHEMBL25528470 0.86 AURKA (0.37) ROCK2MAPK14ROCK1CYP2C9
SCHEMBL25528831 0.85 HTR7 (0.36) F10ROCK2MAPK14ROCK1BRD4
SCHEMBL25532600 0.85 CACNA1H (0.33) 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