SCHEMBL6612971

SCHEMBL6612971

N#CN=C(NCC(Cl)(Cl)CNC(=O)c1cccc(Cl)c1)Nc1ccc(C(F)(F)F)nc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 14/20 0.59
GRM5 P41594 1/20 0.44
KCNQ3 O43525 3/20 0.44
KCNQ2 O43526 3/20 0.44
KCNE1 P15382 3/20 0.44
KCNQ1 P51787 3/20 0.44
KCNQ5 Q9NR82 1/20 0.41
CYP2D6 P10635 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ8 Q15842 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
SCHEMBL7691318 0.90 KCNJ11 (0.57) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6613378 0.89 KCNQ3 (0.57) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6646019 0.85 MEN1 (0.48) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6611716 0.82 MEN1 (0.45) KCNJ11CYP2D6ABCC9ABCC8KCNJ8
SCHEMBL4677817 0.81 KCNJ11 (0.70) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4677822 0.81 KCNJ11 (0.70) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL6615854 0.81 KCNJ11 (0.54) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6611765 0.81 KCNJ11 (0.58) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6642968 0.78 MEN1 (0.44) KCNJ11CYP2D6
SCHEMBL6613703 0.78 KCNQ3 (0.54) KCNJ11KCNQ3KCNQ2KCNE1KCNQ1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed