SCHEMBL13569764

SCHEMBL13569764

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.65
CACNA1I Q9P0X4 11/20 0.65
CACNA1H O95180 2/20 0.48
CACNA1G O43497 1/20 0.48
MCHR1 Q99705 2/20 0.45
CYP2D6 P10635 1/20 0.43
CCR2 P41597 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 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
SCHEMBL4283962 0.91 CACNA1I (0.69) KCNH2CACNA1ICACNA1HCACNA1GMCHR1
SCHEMBL13569928 0.88 KCNH2 (0.62) KCNH2CACNA1ICACNA1HCACNA1GMCHR1
SCHEMBL8374246 0.84 CACNA1I (0.60) KCNH2CACNA1ICACNA1HCACNA1GMCHR1
SCHEMBL19112561 0.83 CACNA1I (0.69) KCNH2CACNA1ICACNA1HCACNA1GMCHR1
SCHEMBL4283935 0.82 CACNA1I (0.69) KCNH2CACNA1ICACNA1HCACNA1GMCHR1
SCHEMBL13569695 0.82 KCNH2 (0.62) KCNH2CACNA1ICACNA1HCACNA1GMCHR1
SCHEMBL1427923 0.82 KCNH2 (0.70) KCNH2CACNA1ICACNA1HCACNA1GMCHR1
SCHEMBL13569687 0.81 KCNH2 (0.60) KCNH2CACNA1ICACNA1HCACNA1GMCHR1
SCHEMBL4273580 0.81 CACNA1I (0.66) KCNH2CACNA1ICACNA1HCACNA1GMCHR1
SCHEMBL4280373 0.81 CACNA1I (0.72) KCNH2CACNA1ICACNA1HCACNA1GMCHR1

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-2009146540-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-12-10 WO disclosed