SCHEMBL24508674

SCHEMBL24508674

CCC(=O)NCCOCCN1CCN(CC)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.45
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PKM P14618 1/20 0.38

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
SCHEMBL22848919 0.84 KDM4E (0.44) ACHEDRD2KDM4EMEN1KMT2A
SCHEMBL25477805 0.84 SMN1; SMN2 (0.44) DRD2DRD3TP53SMN1; SMN2KDM4E
SCHEMBL25913732 0.84 SMN1; SMN2 (0.44) DRD2DRD3TP53SMN1; SMN2KDM4E
SCHEMBL10109056 0.83 MEN1 (0.48) ACHEDRD2DRD3TP53SMN1; SMN2
SCHEMBL23568038 0.82 MEN1 (0.46) ACHEDRD2TP53SMN1; SMN2KDM4E
SCHEMBL25467315 0.81 HRH3 (0.39) DRD2DRD3TP53SMN1; SMN2KDM4E
SCHEMBL25123160 0.81 MEN1 (0.49) ACHEDRD2TP53SMN1; SMN2KDM4E
SCHEMBL23945511 0.81 DRD4 (0.46) DRD2KDM4EMEN1KMT2ATDP1
SCHEMBL25477724 0.79 HRH3 (0.38) DRD2DRD3TP53SMN1; SMN2KDM4E
SCHEMBL24334518 0.79 ACHE (0.42) ACHETP53SMN1; SMN2KDM4EMEN1

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-2022125790-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 — — WO disclosed
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