SCHEMBL26239133

SCHEMBL26239133

CC(C)CNC(=O)C(C)(C)N1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.49
ADRA1A P35348 6/20 0.49
ADRA1B P35368 5/20 0.49
OPRD1 P41143 1/20 0.46
CHRM4 P08173 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
OPRM1 P35372 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
OPRL1 P41146 2/20 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
SCHEMBL26239089 0.83 OPRL1 (0.46) OPRD1OPRM1OPRL1
SCHEMBL26239085 0.83 ALDH1A1 (0.39) OPRM1
SCHEMBL25389124 0.81 ADRA1D (0.39) ADRA1DADRA1AADRA1BPDE4APDE4B
SCHEMBL26238627 0.74 DRD2 (0.49)
SCHEMBL3324391 0.74 OPRM1 (0.62) OPRD1OPRM1CA12CA1CA2
SCHEMBL26238728 0.74 DRD4 (0.49) CHRM4
SCHEMBL25389373 0.72 PRCP (0.48) ADRA1DADRA1AADRA1BHRH3OPRM1
SCHEMBL18701791 0.71 CA12 (0.58) OPRD1CHRM4HRH3OPRM1CA12
SCHEMBL26239088 0.71 IDO1 (0.46) OPRD1
SCHEMBL14902437 0.71 HRH3 (0.56) ADRA1DADRA1AADRA1BOPRD1CHRM4

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