SCHEMBL29343516

SCHEMBL29343516

CC(C)C1CCN(C(=O)COCCCOC2CN(C)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ BDKRB1 P46663 5/20 0.34
▸ GNAI3 P08754 3/20 0.33
▸ GNAO1 P09471 3/20 0.33
▸ GNAI1 P63096 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HCRTR2 O43614 4/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL21207933 0.87 ALDH1A1 (0.36) ALDH1A1BDKRB1GNAI3GNAO1GNAI1
SCHEMBL26381330 0.86 — —
SCHEMBL21477198 0.86 NPC1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL22297429 0.85 ALDH1A1 (0.38) ALDH1A1BDKRB1GNAI3GNAO1GNAI1
SCHEMBL25581265 0.80 ALDH1A1 (0.42) ALDH1A1BDKRB1GNAI3GNAO1GNAI1
SCHEMBL20233673 0.78 NPC1 (0.43) ALDH1A1BDKRB1L3MBTL1SMN1; SMN2NPC1
SCHEMBL22560667 0.77 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL22875066 0.76 ALDH1A1 (0.54) ALDH1A1L3MBTL1NPC1
SCHEMBL23349991 0.76 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL18551613 0.75 CES2 (0.44) SMN1; SMN2

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-2024150815-A1 CEREBLON E3 LIGASE BINDING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PRODUCTION METHOD THEREFOR 田辺三菱製薬株式会社 2024-07-18 — — WO disclosed
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