SCHEMBL25528830

SCHEMBL25528830

Cc1cnn(C)c1-c1ccc2c(c1)N(C)C(=O)[C@@H](C)N(Cc1cc(F)cc(C(=O)NCC(C)O)c1)C2=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
PSEN1 P49768 7/20 0.32
PSEN2 P49810 7/20 0.32
APH1B Q8WW43 7/20 0.32
NCSTN Q92542 7/20 0.32
APH1A Q96BI3 7/20 0.32
PSENEN Q9NZ42 7/20 0.32
GSAP A4D1B5 1/20 0.32
WDR5 P61964 3/20 0.31
GABRA5 P31644 1/20 0.30
ACSS2 Q9NR19 1/20 0.30
VRK1 Q99986 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
SCHEMBL25528469 0.90 POLB (0.36) HPGD
SCHEMBL25528467 0.87 HTR7 (0.34)
SCHEMBL25528468 0.87 CACNA1H (0.36) WDR5
SCHEMBL25529880 0.86 HTR7 (0.33)
SCHEMBL25528762 0.84 CACNA1H (0.34)
SCHEMBL25528465 0.80 CACNA1H (0.33)
SCHEMBL25528834 0.78 HTR7 (0.33)
SCHEMBL25528466 0.77 ROCK2 (0.37)
SCHEMBL25528343 0.76 PARP1 (0.43)
SCHEMBL25528831 0.75 HTR7 (0.36)

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