SCHEMBL25856393

SCHEMBL25856393

CC1CCN(C2CCN(CC3CN(C4C[N+](I)(I)C4)C3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL24480753 0.79 ACHE (0.45) ACHEPOLBKDM4E
SCHEMBL13247999 0.78 ACHE (0.62) ACHEPOLBKDM4EHRH3
SCHEMBL24480750 0.74 ACHE (0.49) ACHEPOLBHRH3
SCHEMBL24480218 0.72 ACHE (0.50) ACHEPOLBKDM4EHRH3
SCHEMBL24480610 0.72 ACHE (0.53) ACHEKDM4E
SCHEMBL26748266 0.71 ACHE (0.57) ACHEPOLBKDM4EHRH3
SCHEMBL25027129 0.71 ACHE (0.53) ACHEPOLBKDM4E
SCHEMBL25856194 0.71 ACHE (0.49) ACHEPOLBHRH3
SCHEMBL11919193 0.70 KDM4E (0.50) ACHEPOLBKDM4EHRH3
SCHEMBL25856202 0.70 ACHE (0.47) ACHEPOLBKDM4EHRH3

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-2023131167-A1 COMPOUND FOR INHIBITING AND DEGRADING IRAK4, AND PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 海思科医药集团股份有限公司 2023-07-13 WO disclosed