SCHEMBL24650481

SCHEMBL24650481

CCOC(=O)CCCCC1c2c(cccc2OCC)CC1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
TBXAS1 P24557 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.35
CYP1A2 P05177 1/20 0.35
NOTUM Q6P988 1/20 0.35
ACHE P22303 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL24650885 0.97 NAMPT (0.38) NAMPTTDP1ALDH1A1USP2ALOX15
SCHEMBL24650495 0.92 TDP1 (0.40) NAMPTTDP1ALDH1A1USP2ALOX15
SCHEMBL24650278 0.92 NOTUM (0.37) NAMPTTDP1ALDH1A1USP2ALOX15
SCHEMBL24650872 0.89 HTR1A (0.40) NAMPTTDP1CTDSP1PDE4APDE4B
SCHEMBL24651136 0.87 PPARG (0.38) TDP1ALDH1A1L3MBTL1ACHE
SCHEMBL24651100 0.85 L3MBTL1 (0.40) TDP1L3MBTL1ACHE
SCHEMBL24650492 0.84 TDP1 (0.38) NAMPTTDP1ALDH1A1USP2ALOX15
SCHEMBL24650864 0.84 NAMPT (0.39) NAMPTTDP1ALDH1A1USP2ALOX15
SCHEMBL24650857 0.82 NAMPT (0.45) NAMPTTDP1ALDH1A1USP2ALOX15
SCHEMBL24651101 0.82 L3MBTL1 (0.42) TDP1L3MBTL1CYP1A2ACHE

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-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed