SCHEMBL13569802

SCHEMBL13569802

C=C(NCC1CCN(C(=O)CN2CCOCC2)CC1)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.42
KCNH2 Q12809 5/20 0.42
CACNA1I Q9P0X4 2/20 0.42
WNT3 P56703 1/20 0.41
SFRP1 Q8N474 1/20 0.41
PIM1 P11309 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NAMPT P43490 1/20 0.38
RHOA P61586 1/20 0.37
TACR1 P25103 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL13569758 0.93 KDM4E (0.41) NPY5RKCNH2CACNA1IWNT3SFRP1
SCHEMBL4271313 0.91 KCNH2 (0.52) NPY5RKCNH2CACNA1IWNT3SFRP1
SCHEMBL13569700 0.87 KCNH2 (0.45) NPY5RKCNH2CACNA1IWNT3SFRP1
SCHEMBL13569753 0.87 KCNH2 (0.47) NPY5RKCNH2CACNA1ICACNA1GCACNA1H
SCHEMBL13569811 0.86 KCNH2 (0.42) KCNH2CACNA1ICACNA1GCACNA1HLMNA
SCHEMBL13569702 0.85 LMNA (0.41) NPY5RKCNH2CACNA1IWNT3SFRP1
SCHEMBL4277715 0.84 KCNH2 (0.59) NPY5RKCNH2CACNA1IWNT3SFRP1
SCHEMBL4282719 0.84 KCNH2 (0.50) NPY5RKCNH2CACNA1ICACNA1GCACNA1H
SCHEMBL19112606 0.83 CACNA1I (0.42) NPY5RKCNH2CACNA1IWNT3SFRP1
SCHEMBL20056370 0.83 KCNH2 (0.39) NPY5RKCNH2CACNA1ICACNA1GCACNA1H

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