SCHEMBL26239083

SCHEMBL26239083

CC(C)CNC(=O)C(C)(C)N1CCCC(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.45
HRH3 Q9Y5N1 2/20 0.43
KCNH2 Q12809 1/20 0.43
KMT2A Q03164 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
HSD11B1 P28845 1/20 0.41
HCRTR2 O43614 3/20 0.41
USP5 P45974 1/20 0.41
DRD2 P14416 1/20 0.39
OPRM1 P35372 1/20 0.39
SLC18A3 Q16572 1/20 0.39

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
SCHEMBL25389373 0.95 PRCP (0.48) PRCPHRH3KCNH2DRD2OPRM1
SCHEMBL26238974 0.83 CCR1 (0.44) KCNH2HCRTR2USP5
SCHEMBL26238973 0.82 KCNQ2 (0.48) PRCPKCNH2HCRTR2USP5
SCHEMBL26238904 0.80 SLC18A3 (0.44) PRCPHRH3KCNH2USP5DRD2
SCHEMBL26238970 0.80 TRPV1 (0.44) KCNH2HSD11B1HCRTR2OPRM1
SCHEMBL26238901 0.79 DRD2 (0.48) DRD2SLC18A3
SCHEMBL26238969 0.79 CHRM4 (0.44) KMT2AHCRTR2DRD2
SCHEMBL26240840 0.78 BCL9 (0.40) KCNH2DRD2
SCHEMBL26238903 0.77 KCNH2 (0.47) PRCPHRH3KCNH2OPRM1
SCHEMBL26238902 0.77 KCNH2 (0.47) PRCPHRH3KCNH2OPRM1

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