SCHEMBL20056337

SCHEMBL20056337

C=C(CN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)N1CCC(C#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.57
CACNA1I Q9P0X4 10/20 0.57
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
RORC P51449 1/20 0.42
MCHR1 Q99705 3/20 0.41
CCR2 P41597 1/20 0.41
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL4277752 0.91 KCNH2 (0.58) KCNH2CACNA1ICACNA1GCACNA1HRORC
SCHEMBL4276878 0.91 KCNH2 (0.58) KCNH2CACNA1ICACNA1GCACNA1HRORC
SCHEMBL19113391 0.88 KCNH2 (0.57) KCNH2CACNA1ICACNA1GCACNA1HRORC
SCHEMBL20056383 0.87 KCNH2 (0.54) KCNH2CACNA1ICACNA1GCACNA1HRORC
SCHEMBL4276594 0.86 KCNH2 (0.52) KCNH2CACNA1ICACNA1GCACNA1HRORC
SCHEMBL19112812 0.85 KCNH2 (0.52) KCNH2CACNA1ICACNA1GCACNA1HRORC
SCHEMBL19112698 0.80 KCNH2 (0.55) KCNH2CACNA1ICACNA1GCACNA1HMCHR1
SCHEMBL1432131 0.80 KCNH2 (0.67) KCNH2CACNA1ICACNA1GCACNA1HMCHR1
SCHEMBL1427923 0.80 KCNH2 (0.70) KCNH2CACNA1ICACNA1GCACNA1HMCHR1
SCHEMBL4269237 0.80 KCNH2 (0.64) KCNH2CACNA1ICACNA1GCACNA1HRORC

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 2 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