SCHEMBL26464490

SCHEMBL26464490

CC(C)(C)NC(=O)CN1C2CC1CN(CC(=O)Nc1cc(F)cc(Cl)c1)C2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 17/20 0.54
CACNA1I Q9P0X4 2/20 0.48
CACNA1G O43497 1/20 0.48
CYP2D6 P10635 1/20 0.48
KCNH2 Q12809 1/20 0.48
CXCR6 O00574 1/20 0.39
ANO1 Q5XXA6 1/20 0.39

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
SCHEMBL26463608 0.94 CACNA1H (0.56) CACNA1HCACNA1ICACNA1GCYP2D6KCNH2
SCHEMBL26465838 0.93 CACNA1H (0.55) CACNA1HCACNA1ICACNA1GCYP2D6KCNH2
SCHEMBL26465689 0.89 CACNA1H (0.54) CACNA1HCACNA1ICACNA1G
SCHEMBL26466387 0.86 CACNA1H (0.49) CACNA1HCACNA1ICACNA1GCYP2D6KCNH2
SCHEMBL26466390 0.86 CACNA1H (0.49) CACNA1HCACNA1ICACNA1GCYP2D6KCNH2
SCHEMBL26466398 0.86 CACNA1H (0.49) CACNA1HCACNA1ICACNA1GCYP2D6KCNH2
SCHEMBL26465573 0.86 CACNA1H (0.72) CACNA1H
SCHEMBL26465833 0.86 CACNA1H (0.56) CACNA1HCACNA1ICYP2D6KCNH2CXCR6
SCHEMBL26464640 0.86 CACNA1H (0.68) CACNA1HCACNA1ICACNA1G
SCHEMBL26498845 0.85 CACNA1H (0.64) CACNA1HCACNA1ICACNA1GCYP2D6KCNH2

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-2023192669-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed