SCHEMBL26083045

SCHEMBL26083045

C[C@H](C(=O)NC(C)(C)C)N1CCC(CNC(=O)c2ccc(F)c(OC(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 5/20 0.45
KCNH2 Q12809 4/20 0.45
CACNA1H O95180 2/20 0.44
CACNA1G O43497 1/20 0.44
F10 P00742 11/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ROCK2 O75116 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL26082105 1.00 CACNA1I (0.45) CACNA1IKCNH2CACNA1HCACNA1GF10
SCHEMBL26083561 1.00 CACNA1I (0.45) CACNA1IKCNH2CACNA1HCACNA1GF10
SCHEMBL26082099 0.87 PDE4A (0.38) CACNA1ICACNA1HCACNA1GF10PDE4A
SCHEMBL26082103 0.87 PDE4A (0.38) CACNA1ICACNA1HCACNA1GF10PDE4A
SCHEMBL26083463 0.85 CACNA1I (0.62) CACNA1IKCNH2CACNA1HCACNA1GF10
SCHEMBL26082102 0.83 CACNA1H (0.51) CACNA1IKCNH2CACNA1HCACNA1GALDH1A1
SCHEMBL26082097 0.83 CACNA1H (0.51) CACNA1IKCNH2CACNA1HCACNA1GALDH1A1
SCHEMBL26082106 0.83 CACNA1H (0.51) CACNA1IKCNH2CACNA1HCACNA1GALDH1A1
SCHEMBL26541958 0.80 CACNA1H (0.48) CACNA1ICACNA1HCACNA1GF10PDE4A
SCHEMBL26541957 0.80 CACNA1H (0.48) CACNA1ICACNA1HCACNA1GF10PDE4A

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