SCHEMBL26239074

SCHEMBL26239074

COCC(C(=O)NCC(C)C)N1CCC(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ PRCP P42785 3/20 0.44
▸ OPRM1 P35372 4/20 0.44
▸ LIPE Q05469 2/20 0.44
▸ SLC18A3 Q16572 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ HSD11B1 P28845 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
SCHEMBL25391308 0.85 PRCP (0.47) KCNH2HRH3PRCPOPRM1SLC18A3
SCHEMBL26238906 0.83 KCNH2 (0.50) KCNH2HRH3PRCPOPRM1SLC18A3
SCHEMBL26239077 0.81 HCRTR2 (0.41) —
SCHEMBL25390755 0.79 ASAH1 (0.38) —
SCHEMBL4029855 0.75 PRMT5 (0.58) KCNH2HRH3PRCPLIPEHSD11B1
SCHEMBL26238905 0.73 PRCP (0.58) PRCPSLC18A3ADRA1DADRA1AADRA1B
SCHEMBL25389373 0.72 PRCP (0.48) KCNH2HRH3PRCPOPRM1LIPE
SCHEMBL19370816 0.70 KCNH2 (0.43) KCNH2HRH3PRCPOPRM1SLC18A3
SCHEMBL26239083 0.69 PRCP (0.45) KCNH2HRH3PRCPOPRM1SLC18A3
SCHEMBL27498941 0.69 KCNH2 (0.60) KCNH2HRH3PRCPOPRM1LIPE

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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