SCHEMBL13569872

SCHEMBL13569872

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 10/20 0.51
KCNH2 Q12809 10/20 0.51
CACNA1H O95180 2/20 0.39
CACNA1G O43497 1/20 0.39
CCR2 P41597 1/20 0.36
USP30 Q70CQ3 1/20 0.35
KMT2A Q03164 1/20 0.34
CXCR3 P49682 2/20 0.34
MCHR1 Q99705 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL4274501 0.83 CACNA1I (0.67) CACNA1IKCNH2CACNA1HCACNA1GCCR2
SCHEMBL13569787 0.82 KCNH2 (0.51) CACNA1IKCNH2CCR2USP30CXCR3
SCHEMBL20056294 0.80 KCNH2 (0.50) CACNA1IKCNH2CACNA1HCACNA1GCCR2
SCHEMBL13569759 0.78 KCNH2 (0.56) CACNA1IKCNH2CCR2CXCR3MCHR1
SCHEMBL13569792 0.78 KCNH2 (0.57) CACNA1IKCNH2CACNA1HCCR2KMT2A
SCHEMBL13569697 0.78 KCNH2 (0.45) CACNA1IKCNH2CACNA1HCACNA1GCCR2
SCHEMBL13569803 0.77 CACNA1I (0.67) CACNA1IKCNH2CACNA1HCACNA1GCCR2
SCHEMBL13569689 0.76 KCNH2 (0.49) CACNA1IKCNH2CACNA1HCACNA1GCCR2
SCHEMBL13569688 0.75 KCNH2 (0.49) CACNA1IKCNH2CACNA1HCACNA1GCCR2
SCHEMBL13569764 0.73 KCNH2 (0.65) CACNA1IKCNH2CACNA1HCACNA1GCCR2

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