SCHEMBL26238626

SCHEMBL26238626

CC(C)(C(=O)NC1CC1)N1CCN(c2cccc(F)c2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.45
▸ DRD2 P14416 7/20 0.44
▸ DRD3 P35462 5/20 0.44
▸ HTR1A P08908 2/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ HTR2B P41595 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ HTR2A P28223 3/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ SSTR4 P31391 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL25392645 0.81 RAB9A (0.60) SIGMAR1GAARAB9AMEN1ALDH1A1
SCHEMBL25390089 0.80 SMN1; SMN2 (0.46) DRD2DRD3GAAMEN1ALDH1A1
SCHEMBL25388961 0.79 LMNA (0.40) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL26238508 0.76 RAB9A (0.69) SIGMAR1GAARAB9AMEN1ALDH1A1
SCHEMBL26239143 0.74 BDKRB1 (0.42) HSD11B1SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL25464109 0.72 L3MBTL1 (0.44) SSTR4RAB9AALDH1A1KMT2A
SCHEMBL14346862 0.71 DRD2 (0.71) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL13629931 0.71 DRD2 (0.71) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL4481513 0.71 DRD2 (0.71) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL4499800 0.71 DRD2 (0.60) DRD2DRD3HTR1ADRD4HTR2B

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
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