SCHEMBL19112865

SCHEMBL19112865

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

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 16/20 0.67
KCNH2 Q12809 12/20 0.67
CACNA1H O95180 2/20 0.52
CACNA1G O43497 1/20 0.52
CYP2D6 P10635 1/20 0.44
CCR2 P41597 1/20 0.44
MCHR1 Q99705 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
SCHEMBL4269536 0.96 CACNA1I (0.69) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4278341 0.90 KCNH2 (0.61) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL19112531 0.87 CACNA1I (0.66) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4269070 0.86 ALDH1A1 (0.61) CACNA1IKCNH2CCR2
SCHEMBL4280373 0.86 CACNA1I (0.72) CACNA1IKCNH2CACNA1HCACNA1GCCR2
SCHEMBL4270502 0.84 CACNA1I (0.69) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4272131 0.83 CACNA1I (0.65) CACNA1IKCNH2CACNA1HCACNA1GCCR2
SCHEMBL4279303 0.83 KCNH2 (0.70) CACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4274501 0.82 CACNA1I (0.67) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4278218 0.82 CACNA1I (0.69) 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
EP-3189839-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Taro Pharmaceuticals Inc. (CA) 2017-07-12 EP disclosed