SCHEMBL26239145

SCHEMBL26239145

COCC(C(=O)NCC(C)C)N1CCC(C#N)(c2cccc(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 11/20 0.39
▸ ADRA1A P35348 11/20 0.39
▸ ADRA1B P35368 11/20 0.39
▸ DRD2 P14416 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ BDKRB1 P46663 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MC4R P32245 1/20 0.34
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ HDAC4 P56524 1/20 0.33

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
SCHEMBL25389124 0.79 ADRA1D (0.39) ADRA1DADRA1AADRA1BBDKRB1LMNA
SCHEMBL26239077 0.77 HCRTR2 (0.41) LMNAMC4R
SCHEMBL26239136 0.74 LMNA (0.41) ADRA1DADRA1AADRA1BBDKRB1LMNA
SCHEMBL25390755 0.70 ASAH1 (0.38) DRD2HTR2A
SCHEMBL25388886 0.68 GPR119 (0.43) BDKRB1
SCHEMBL26239074 0.68 KCNH2 (0.44) ADRA1DADRA1AADRA1B
SCHEMBL26239138 0.67 BDKRB1 (0.40) ADRA1DADRA1AADRA1BBDKRB1LMNA
SCHEMBL3868254 0.67 HDAC4 (0.42) BDKRB1LMNAHDAC4
SCHEMBL26239140 0.66 BDKRB1 (0.39) ADRA1DADRA1AADRA1BBDKRB1PDE4A
SCHEMBL25388839 0.66 MEN1 (0.35) LMNA

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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