SCHEMBL26081978

SCHEMBL26081978

CC(CN1CCC(CNC(=O)c2cc(F)cc(OC(F)F)c2)CC1)C(C)(C)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 15/20 0.52
KCNH2 Q12809 14/20 0.52
CACNA1H O95180 3/20 0.49
CACNA1G O43497 1/20 0.49
CYP2D6 P10635 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL26082512 0.85 CACNA1I (0.63) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26081970 0.83 CACNA1I (0.54) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26081996 0.83 CACNA1I (0.46) CACNA1IKCNH2CACNA1HCACNA1GHTR7
SCHEMBL26082509 0.83 CACNA1I (0.61) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26082107 0.82 CACNA1I (0.61) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26083444 0.82 CACNA1I (0.48) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26082506 0.81 CACNA1I (0.61) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26082511 0.81 CACNA1I (0.52) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26082102 0.81 CACNA1H (0.51) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26082097 0.81 CACNA1H (0.51) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6

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