SCHEMBL26238901

SCHEMBL26238901

CCCNC(=O)C(C)(C)N1CCC(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
CHRM4 P08173 1/20 0.44
SLC18A3 Q16572 4/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
RIPK1 Q13546 1/20 0.42
CCR2 P41597 1/20 0.41

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
SCHEMBL26238904 0.85 SLC18A3 (0.44) DRD2CARM1PRMT6CHRM4SLC18A3
SCHEMBL25389373 0.83 PRCP (0.48) DRD2SLC18A3ADRA1DADRA1AADRA1B
SCHEMBL6248840 0.80 CHRM4 (0.61) DRD2CHRM4
SCHEMBL26238897 0.80 NPY5R (0.48) SLC18A3SIGMAR1
SCHEMBL26239083 0.79 PRCP (0.45) DRD2SLC18A3
SCHEMBL26238900 0.77 SIGMAR1 (0.53) SLC18A3SIGMAR1
SCHEMBL26238899 0.77 SIGMAR1 (0.50) SLC18A3SIGMAR1
SCHEMBL26238902 0.76 KCNH2 (0.47)
SCHEMBL26238903 0.76 KCNH2 (0.47)
SCHEMBL1575429 0.73 CHRM4 (0.49) DRD2CHRM4SLC18A3

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