SCHEMBL26082099

SCHEMBL26082099

CC(C(=O)NC(C)(C)C)N1CC2(CC(CNC(=O)c3ccc(F)c(OC(F)F)c3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.38
PDE4B Q07343 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38
CACNA1H O95180 6/20 0.38
CACNA1I Q9P0X4 2/20 0.37
CACNA1G O43497 1/20 0.37
F10 P00742 4/20 0.35
SLC5A7 Q9GZV3 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
SCHEMBL26082103 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DCACNA1H
SCHEMBL26082026 0.87 CACNA1H (0.47) PDE4APDE4BPDE4CPDE4DCACNA1H
SCHEMBL26082105 0.87 CACNA1I (0.45) PDE4APDE4BPDE4CPDE4DCACNA1H
SCHEMBL26083045 0.87 CACNA1I (0.45) PDE4APDE4BPDE4CPDE4DCACNA1H
SCHEMBL26083561 0.87 CACNA1I (0.45) PDE4APDE4BPDE4CPDE4DCACNA1H
SCHEMBL26082041 0.82 CACNA1H (0.39) PDE4APDE4BPDE4CPDE4DCACNA1H
SCHEMBL26082038 0.82 CACNA1H (0.39) PDE4APDE4BPDE4CPDE4DCACNA1H
SCHEMBL26541960 0.79 CACNA1H (0.50) PDE4APDE4BPDE4CPDE4DCACNA1H
SCHEMBL26541957 0.78 CACNA1H (0.48) PDE4APDE4BPDE4CPDE4DCACNA1H
SCHEMBL26541958 0.78 CACNA1H (0.48) PDE4APDE4BPDE4CPDE4DCACNA1H

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-2023192687-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING AN AZASPIROHEPTANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed