SCHEMBL25528465

SCHEMBL25528465

Cc1ccc(C(=O)OC2CC(CNC(=O)c3cc(F)cc(CN4C(=O)c5ccc(-c6c(C)cnn6C)cc5N(C)C(=O)[C@H]4C)c3)C2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.33
BRD4 O60885 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
SCHEMBL25528346 0.92 ROCK2 (0.36) BRD4
SCHEMBL25528479 0.90 CACNA1H (0.33) CACNA1HBRD4
SCHEMBL25529070 0.90 CACNA1H (0.33) CACNA1HBRD4
SCHEMBL25528468 0.88 CACNA1H (0.36) CACNA1H
SCHEMBL25528467 0.86 HTR7 (0.34)
SCHEMBL25528839 0.84 F10 (0.34) BRD4
SCHEMBL25528762 0.84 CACNA1H (0.34) CACNA1H
SCHEMBL25532515 0.83 ROCK2 (0.33) BRD4
SCHEMBL25528924 0.82 CACNA1H (0.37) CACNA1H
SCHEMBL25529087 0.81 ROCK2 (0.34) CACNA1H

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