SCHEMBL26239138

SCHEMBL26239138

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 2/20 0.40
▸ HDAC4 P56524 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ ADRA1D P25100 7/20 0.36
▸ ADRA1A P35348 7/20 0.36
▸ ADRA1B P35368 7/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HDAC3 O15379 1/20 0.32

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
SCHEMBL26239140 0.89 BDKRB1 (0.39) BDKRB1HDAC4PDE4APDE4BPDE4C
SCHEMBL26239143 0.86 BDKRB1 (0.42) BDKRB1HDAC4PDE4APDE4BPDE4C
SCHEMBL25389124 0.84 ADRA1D (0.39) BDKRB1HDAC4PDE4APDE4BPDE4C
SCHEMBL26239136 0.83 LMNA (0.41) BDKRB1PDE4APDE4BPDE4CPDE4D
SCHEMBL25388886 0.76 GPR119 (0.43) BDKRB1HDAC1HDAC6
SCHEMBL3868254 0.73 HDAC4 (0.42) BDKRB1HDAC4ALDH1A1NPC1LMNA
SCHEMBL18742752 0.70 HDAC4 (0.44) BDKRB1HDAC4ALDH1A1NPC1LMNA
SCHEMBL5138689 0.69 HDAC4 (0.46) BDKRB1HDAC4ALDH1A1NPC1LMNA
SCHEMBL12877871 0.68 PDK2 (0.44) HDAC1HDAC6
SCHEMBL26239145 0.67 ADRA1D (0.39) BDKRB1HDAC4PDE4APDE4BPDE4C

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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