SCHEMBL4736795

SCHEMBL4736795

CCN(CC)c1ccc(CN(C(=O)c2cccn2C)c2ccc(F)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AOC3 Q16853 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 2/20 0.35
MAPK14 Q16539 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 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
SCHEMBL4735156 0.83 KCNH2 (0.39) L3MBTL1KDM4ELMNAMAPTHTT
SCHEMBL3071006 0.81 CACNA1H (0.47) CACNA1HRAB9AAOC3KDM4ELMNA
SCHEMBL4736030 0.81 CACNA1H (0.47) CACNA1HAOC3KDM4ECNR2MAPK14
SCHEMBL4734213 0.80 LMNA (0.54) CACNA1HL3MBTL1NPC1RAB9AKDM4E
SCHEMBL4803555 0.79 ME2 (0.39) L3MBTL1KDM4ELMNAMAPT
SCHEMBL4733787 0.79 KMT2A (0.48) CACNA1HNPC1RAB9AKDM4ELMNA
SCHEMBL3821700 0.78 CNR2 (0.49) CACNA1HAOC3NPSR1CNR2MAPK14
SCHEMBL3815393 0.78 CACNA1H (0.45) CACNA1HAOC3KDM4ELMNANPSR1
SCHEMBL3064331 0.78 CACNA1H (0.45) CACNA1HAOC3CNR2LTB4R2
SCHEMBL4738911 0.78 CACNA1H (0.40) CACNA1HL3MBTL1NPC1AOC3CNR2

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed