SCHEMBL20056293

SCHEMBL20056293

C=C(CN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)P)c2)CC1)NC1(C)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 12/20 0.55
KCNH2 Q12809 12/20 0.55
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
MCHR1 Q99705 3/20 0.41
CCR2 P41597 1/20 0.41
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL13569815 0.95 CACNA1I (0.60) CACNA1IKCNH2CACNA1GCACNA1HMCHR1
SCHEMBL13569701 0.88 CACNA1I (0.55) CACNA1IKCNH2CACNA1GCACNA1HMCHR1
SCHEMBL4280554 0.87 CACNA1I (0.64) CACNA1IKCNH2CACNA1GCACNA1HMCHR1
SCHEMBL16471372 0.82 CACNA1I (0.67) CACNA1IKCNH2CACNA1GCACNA1HCCR2
SCHEMBL4284041 0.79 CACNA1I (0.58) CACNA1IKCNH2CACNA1GCACNA1HCCR2
SCHEMBL13569695 0.79 KCNH2 (0.62) CACNA1IKCNH2CACNA1GCACNA1HMCHR1
SCHEMBL14769919 0.79 KCNH2 (0.66) CACNA1IKCNH2CACNA1GCACNA1HMCHR1
SCHEMBL4274625 0.79 KCNH2 (0.60) CACNA1IKCNH2CACNA1GCACNA1HMCHR1
SCHEMBL19113176 0.78 KCNH2 (0.58) CACNA1IKCNH2CACNA1GCACNA1HMCHR1
SCHEMBL13569788 0.77 KCNH2 (0.60) CACNA1IKCNH2CACNA1GCACNA1HMCHR1

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