SCHEMBL9054380

SCHEMBL9054380

CCN(CC)CCSOC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CHRM1 P11229 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM3 P20309 2/20 0.36
LMNA P02545 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PAOX Q6QHF9 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM5 P08912 1/20 0.31
MAOB P27338 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
MAOA P21397 1/20 0.31
HTR3A P46098 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL9056259 0.78 CHRM2 (0.35) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL1532585 0.75
SCHEMBL27741530 0.72 SLC2A1 (0.33) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL29193713 0.72 ALDH1A1 (0.38) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL10582483 0.71 MAPT (0.47) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL10518571 0.71
SCHEMBL8580369 0.70
SCHEMBL13324842 0.70 MAPT (0.32) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL3181489 0.69
SCHEMBL17633760 0.69

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-1996002553-A2 AMINO PURINE-β-D-RIBOFURANURONAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 1996-02-01 WO disclosed