SCHEMBL13569693

SCHEMBL13569693

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 12/20 0.59
KCNH2 Q12809 12/20 0.59
CACNA1H O95180 5/20 0.57
CACNA1G O43497 1/20 0.57
CYP2D6 P10635 1/20 0.43

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
SCHEMBL4269884 0.93 CACNA1I (0.65) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4270502 0.86 CACNA1I (0.69) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4274643 0.85 CACNA1H (0.77) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL19112531 0.84 CACNA1I (0.66) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL13569701 0.83 CACNA1I (0.55) CACNA1IKCNH2CACNA1HCACNA1G
SCHEMBL14769934 0.83 CACNA1I (0.70) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4278341 0.83 KCNH2 (0.61) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4277443 0.83 CACNA1I (0.64) CACNA1IKCNH2CACNA1HCACNA1G
SCHEMBL4284353 0.83 CACNA1I (0.61) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26082108 0.82 CACNA1I (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189839-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS PRAXIS PREC MEDICINES INC (US) 2020-05-20 EP disclosed
EP-2300007-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TARO PHARMACEUTICALS INC (CA) 2018-04-18 EP disclosed
WO-2009146540-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-12-10 WO disclosed