SCHEMBL26239136

SCHEMBL26239136

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ ADRA1A P35348 12/20 0.40
▸ ADRA1D P25100 9/20 0.40
▸ ADRA1B P35368 9/20 0.40
▸ BDKRB1 P46663 1/20 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
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 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
SCHEMBL25389124 0.84 ADRA1D (0.39) LMNAADRA1AADRA1DADRA1BBDKRB1
SCHEMBL26239138 0.83 BDKRB1 (0.40) LMNAADRA1AADRA1DADRA1BBDKRB1
SCHEMBL26239140 0.81 BDKRB1 (0.39) ADRA1AADRA1DADRA1BBDKRB1PDE4A
SCHEMBL26239143 0.80 BDKRB1 (0.42) ADRA1AADRA1DADRA1BBDKRB1PDE4A
SCHEMBL26239145 0.74 ADRA1D (0.39) LMNAADRA1AADRA1DADRA1BBDKRB1
SCHEMBL25388886 0.73 GPR119 (0.43) BDKRB1MEN1KMT2A
SCHEMBL3868254 0.68 HDAC4 (0.42) LMNABDKRB1HPGDALDH1A1SMN1; SMN2
SCHEMBL18742752 0.66 HDAC4 (0.44) LMNABDKRB1HPGDMEN1ALDH1A1
SCHEMBL12877871 0.65 PDK2 (0.44) MEN1KMT2A
SCHEMBL26238523 0.65 ALDH1A1 (0.65) LMNAADRA1AMEN1ALDH1A1MAPK1

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
Send feedback