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SCHEMBL25529088

SCHEMBL25529088

C[C@@H]1C(=O)N(C)c2cc(-c3ccncc3)ccc2C(=O)N1Cc1cc(F)cc(C(=O)NC[C@H]2C[C@@H](OC(=O)c3ccc(F)nc3)C2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ CACNA1H O95180 1/20 0.33
▸ EGLN1 Q9GZT9 4/20 0.32
▸ GABRA5 P31644 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.30
▸ F10 P00742 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
SCHEMBL25529079 0.94 ROCK2 (0.34) ROCK2ROCK1CACNA1HEGLN1GABRA5
SCHEMBL25529084 0.94 ROCK2 (0.34) ROCK2ROCK1CACNA1HEGLN1GABRA5
SCHEMBL25529086 0.92 EGLN1 (0.34) ROCK2ROCK1CACNA1HEGLN1USP30
SCHEMBL25529073 0.91 ROCK2 (0.35) ROCK2ROCK1CACNA1HAURKAF10
SCHEMBL25528924 0.91 CACNA1H (0.37) ROCK2ROCK1CACNA1HAURKAUSP30
SCHEMBL25529087 0.90 ROCK2 (0.34) ROCK2ROCK1CACNA1HAURKAF10
SCHEMBL25532600 0.90 CACNA1H (0.33) ROCK2ROCK1CACNA1HAURKAUSP30
SCHEMBL25528617 0.90 ROCK2 (0.35) ROCK2ROCK1CACNA1HF10
SCHEMBL25529070 0.89 CACNA1H (0.33) ROCK2ROCK1CACNA1HAURKAF10
SCHEMBL25528945 0.89 CACNA1H (0.36) ROCK2ROCK1CACNA1HAURKAUSP30

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