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SCHEMBL25528831

SCHEMBL25528831

Cc1ccc(C(=O)OC(C)CNC(=O)c2cc(F)cc(CN3C(=O)c4ccc(-c5ccncc5)cc4N(C)C(=O)[C@H]3C)c2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 2/20 0.36
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ F3 P13726 1/20 0.34
▸ ROCK2 O75116 2/20 0.32
▸ ROCK1 Q13464 2/20 0.32
▸ AURKA O14965 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ MAPK14 Q16539 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
SCHEMBL25528467 0.90 HTR7 (0.34) HTR7
SCHEMBL25528835 0.86 ROCK2 (0.32) ROCK2ROCK1AURKABRD4
SCHEMBL25529070 0.86 CACNA1H (0.33) F10ROCK2ROCK1AURKABRD4
SCHEMBL25528479 0.86 CACNA1H (0.33) F10ROCK2ROCK1AURKABRD4
SCHEMBL25528837 0.85 ROCK2 (0.32) ROCK2ROCK1BRD4
SCHEMBL25528839 0.85 F10 (0.34) F10ROCK2ROCK1BRD4MAPK14
SCHEMBL25528750 0.82 ROCK2 (0.33) HTR7ROCK2ROCK1BRD4
SCHEMBL25528834 0.81 HTR7 (0.33) HTR7ROCK2ROCK1BRD4
SCHEMBL25531283 0.78 CACNA1H (0.36) ROCK2ROCK1AURKA
SCHEMBL25528475 0.78 CACNA1H (0.36) ROCK2ROCK1AURKA

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