SCHEMBL26238902

SCHEMBL26238902

CC(C)[C@@H](C)NC(=O)C(C)(C)N1CCC(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PRCP P42785 6/20 0.46
CCR1 P32246 7/20 0.46
OPRM1 P35372 1/20 0.43

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
SCHEMBL26238903 1.00 KCNH2 (0.47) KCNH2HRH3PRCPCCR1OPRM1
SCHEMBL25389373 0.81 PRCP (0.48) KCNH2HRH3PRCPCCR1OPRM1
SCHEMBL26238897 0.80 NPY5R (0.48) KCNH2HRH3
SCHEMBL26238899 0.77 SIGMAR1 (0.50) KCNH2HRH3
SCHEMBL26238904 0.77 SLC18A3 (0.44) KCNH2HRH3PRCP
SCHEMBL26238900 0.77 SIGMAR1 (0.53) KCNH2HRH3
SCHEMBL26239083 0.77 PRCP (0.45) KCNH2HRH3PRCPOPRM1
SCHEMBL26238901 0.76 DRD2 (0.48)
SCHEMBL8026705 0.71 DRD2 (0.53) KCNH2HRH3OPRM1
SCHEMBL13588778 0.68 KCNH2 (0.64) KCNH2HRH3CCR1

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