SCHEMBL26238802

SCHEMBL26238802

CC(C)CNC(=O)C(C)(C)N1CC=C(c2ccccc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PDK4 Q16654 1/20 0.36
CCNT1 O60563 4/20 0.36
CDK9 P50750 4/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM1 Q13255 3/20 0.35
GRM5 P41594 2/20 0.35
PARP1 P09874 1/20 0.34
HTR6 P50406 1/20 0.33
SLC1A2 P43004 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
CACNA1G O43497 1/20 0.33
KCNH2 Q12809 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
SCHEMBL26238805 0.92 CCNT1 (0.42) LMNAPDK4CCNT1CDK9GRM1
SCHEMBL26238804 0.88 MAPT (0.37) LMNAPDK4KDM4EPOLBKMT2A
SCHEMBL26238812 0.86 HTR1A (0.35) LMNAPDK4CCNT1CDK9KDM4E
SCHEMBL26238807 0.86 LRRK2 (0.36) LMNAPDK4CCNT1CDK9HTR1A
SCHEMBL26238801 0.85 KDM4E (0.46) LMNAKDM4EKMT2AHTR1AKCNH2
SCHEMBL26238814 0.85 PDK4 (0.35) LMNAPDK4CCNT1CDK9KDM4E
SCHEMBL26238813 0.85 CCNT1 (0.34) PDK4CCNT1CDK9KDM4EPOLB
SCHEMBL26238894 0.84 HTR1A (0.35) CCNT1CDK9GRM1GRM5HTR1A
SCHEMBL26238815 0.84 CACNA1G (0.39) CCNT1CDK9CACNA1GKCNH2
SCHEMBL26238889 0.83 MEN1 (0.36) PDK4CCNT1CDK9KDM4EPOLB

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