SCHEMBL13569702

SCHEMBL13569702

C=C(NCC1CCN(C(=O)CN2CCCC(O)C2)CC1)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KCNH2 Q12809 9/20 0.41
CACNA1I Q9P0X4 3/20 0.40
ALDH1A1 P00352 1/20 0.39
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CCR2 P41597 2/20 0.35
WNT3 P56703 1/20 0.35
SFRP1 Q8N474 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
NPY5R Q15761 1/20 0.34
GAA P10253 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 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
SCHEMBL13569698 0.95 KCNH2 (0.45) LMNAKCNH2CACNA1IALDH1A1CCR2
SCHEMBL4280512 0.91 KCNH2 (0.50) LMNAKCNH2CACNA1IALDH1A1CACNA1G
SCHEMBL20056370 0.86 KCNH2 (0.39) KCNH2CACNA1IALDH1A1CACNA1GCACNA1H
SCHEMBL4278565 0.85 KCNH2 (0.54) KCNH2CACNA1IALDH1A1CACNA1GCACNA1H
SCHEMBL4278560 0.85 KCNH2 (0.54) KCNH2CACNA1IALDH1A1CACNA1GCACNA1H
SCHEMBL4282723 0.85 KCNH2 (0.56) LMNAKCNH2CACNA1IALDH1A1CCR2
SCHEMBL13569802 0.85 NPY5R (0.42) LMNAKCNH2CACNA1ICACNA1GCACNA1H
SCHEMBL13569811 0.84 KCNH2 (0.42) LMNAKCNH2CACNA1IALDH1A1CACNA1G
SCHEMBL19113351 0.84 KCNH2 (0.43) LMNAKCNH2CACNA1IALDH1A1CACNA1G
SCHEMBL13569753 0.83 KCNH2 (0.47) KCNH2CACNA1ICACNA1GCACNA1HCCR2

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