SCHEMBL26409154

SCHEMBL26409154

CC(C)(NC(=O)CN1CC2(CCC(CNC(=O)c3cccc(Cl)c3)CC2)C1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 11/20 0.56
KCNH2 Q12809 9/20 0.56
CACNA1H O95180 5/20 0.55
CACNA1G O43497 1/20 0.49
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.42
CCR2 P41597 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL26409151 0.91 CACNA1H (0.66) CACNA1IKCNH2CACNA1HCACNA1GLMNA
SCHEMBL4284007 0.88 CACNA1I (0.69) CACNA1IKCNH2CACNA1HCACNA1GLMNA
SCHEMBL26409156 0.85 CACNA1H (0.55) CACNA1IKCNH2CACNA1HCACNA1GLMNA
SCHEMBL26083134 0.82 CACNA1H (0.66) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL14763814 0.80 CACNA1I (0.66) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26082497 0.78 CACNA1I (0.80) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4271124 0.78 CACNA1I (0.80) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26081952 0.78 KMT2A (0.43) CACNA1IKCNH2CACNA1HCACNA1GLMNA
SCHEMBL4279336 0.77 MEN1 (0.55) CACNA1IKCNH2CACNA1HCACNA1GCCR2
SCHEMBL4280401 0.77 CCR2 (0.58) CACNA1IKCNH2CACNA1HCACNA1GLMNA

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-2023192675-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING AN AZASPIRONONANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed