SCHEMBL4462385

SCHEMBL4462385

CNC1CCN(C(=O)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.49
PDK2 Q15119 1/20 0.45
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
KDM1A O60341 2/20 0.42
HRH4 Q9H3N8 4/20 0.42
GAA P10253 1/20 0.41
GFER P55789 1/20 0.40

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
SCHEMBL4462380 0.81 ALDH1A1 (0.50) KCNH2PDK2HSP90AA1HSP90AB1GAA
SCHEMBL5634575 0.80 KCNH2 (0.54) KCNH2HSP90AA1HSP90AB1GAA
SCHEMBL4599280 0.78 KCNH2 (0.47) KCNH2PDK2HSP90AA1HSP90AB1GAA
SCHEMBL19226402 0.76 MEN1 (0.63) PDK2KDM1A
SCHEMBL26424704 0.76 MEN1 (0.63) PDK2KDM1A
SCHEMBL14019253 0.76 GAA (0.65) GAA
SCHEMBL8605250 0.74 PKM (0.61) KCNH2HSP90AA1HSP90AB1GAA
SCHEMBL2132882 0.72 EPHX1 (0.63) PDK2KDM1AHRH4
SCHEMBL7881494 0.72 EPHX1 (0.63) PDK2KDM1AHRH4
SCHEMBL2132888 0.72 EPHX1 (0.63) PDK2KDM1AHRH4

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
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US claimed