SCHEMBL26239140

SCHEMBL26239140

CCC(C)(C)NC(=O)C(C)(C)N1CCC(C#N)(c2cccc(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 1/20 0.39
▸ ADRA1A P35348 14/20 0.37
▸ ADRA1D P25100 12/20 0.37
▸ ADRA1B P35368 12/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL26239138 0.89 BDKRB1 (0.40) BDKRB1ADRA1AADRA1DADRA1BHDAC4
SCHEMBL25389124 0.83 ADRA1D (0.39) BDKRB1ADRA1AADRA1DADRA1BHDAC4
SCHEMBL26239143 0.82 BDKRB1 (0.42) BDKRB1ADRA1AADRA1DADRA1BHDAC4
SCHEMBL26239136 0.81 LMNA (0.41) BDKRB1ADRA1AADRA1DADRA1BPDE4A
SCHEMBL25388886 0.73 GPR119 (0.43) BDKRB1
SCHEMBL3868254 0.70 HDAC4 (0.42) BDKRB1HDAC4
SCHEMBL18742752 0.68 HDAC4 (0.44) BDKRB1HDAC4
SCHEMBL5138689 0.66 HDAC4 (0.46) BDKRB1HDAC4
SCHEMBL26239145 0.66 ADRA1D (0.39) BDKRB1ADRA1AADRA1DADRA1BHDAC4
SCHEMBL5729940 0.65 OPRM1 (0.52) —

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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