SCHEMBL20328142

SCHEMBL20328142

CC1=C(C(=O)OC(C)C)C(c2cccc(Cl)c2)N(CCCN(C)C(=O)c2ccc(OC3=CCCC=C3)cc2)C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 5/20 0.36
CACNA1D Q01668 5/20 0.36
CACNA1S Q13698 5/20 0.36
CACNA1C Q13936 5/20 0.36
HTT P42858 2/20 0.35
XBP1 P17861 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ACHE P22303 2/20 0.33
MBTPS1 Q14703 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 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
SCHEMBL20328325 0.88 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL5568116 0.84 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL5568028 0.79 HTT (0.40) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL5569023 0.79 HTT (0.42) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL5567175 0.79 HTT (0.40) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL5568485 0.78 HTT (0.39) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL5562836 0.78 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL5563157 0.77 HTT (0.39) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL5563112 0.77 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL20328168 0.77 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CHTT

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-2018118101-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2018-06-28 WO disclosed