SCHEMBL26238804

SCHEMBL26238804

Cc1ccccc1C1=CCN(C(C)(C)C(=O)NCC(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
PDK4 Q16654 1/20 0.37
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 1/20 0.35
EPHX2 P34913 1/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NAMPT P43490 1/20 0.33
CACNA1G O43497 1/20 0.33
KCNH2 Q12809 1/20 0.33
MMP2 P08253 2/20 0.33
ADAM10 O14672 1/20 0.33
MMP3 P08254 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL26238812 0.89 HTR1A (0.35) MAPTPDK4HTR1ADRD2DRD4
SCHEMBL26238802 0.88 LMNA (0.40) PDK4HTR1ADRD2DRD4POLB
SCHEMBL26238801 0.86 KDM4E (0.46) MAPTHTR1AKDM4ENAMPTKCNH2
SCHEMBL26238814 0.86 PDK4 (0.35) MAPTPDK4HTR1ADRD2DRD4
SCHEMBL26238894 0.85 HTR1A (0.35) HTR1ADRD2DRD4ALDH1A1
SCHEMBL26238891 0.85 NAMPT (0.40) HTR1ADRD2DRD4NAMPT
SCHEMBL26238889 0.84 MEN1 (0.36) MAPTPDK4HTR1ADRD2DRD4
SCHEMBL26238805 0.84 CCNT1 (0.42) PDK4HTR1ADRD2DRD4LMNA
SCHEMBL26238813 0.81 CCNT1 (0.34) MAPTPDK4HTR1ADRD2DRD4
SCHEMBL26238815 0.81 CACNA1G (0.39) CACNA1GKCNH2

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-2023172415-A1 SWEETENER COMPOSITIONS FIRMENICH INCORPORATED (US) 2023-09-14 WO disclosed