SCHEMBL1381682

SCHEMBL1381682

CN1CCC(N(C)C(=O)N2CC(c3cc(F)ccc3F)=C[C@H]2c2ccccc2)C(F)C1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.76
KIF11 P52732 17/20 0.68

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
SCHEMBL4028780 1.00 KCNH2 (0.76) KCNH2KIF11
SCHEMBL1381684 1.00 KCNH2 (0.76) KCNH2KIF11
SCHEMBL1929825 1.00 KCNH2 (0.76) KCNH2KIF11
SCHEMBL1929829 1.00 KCNH2 (0.76) KCNH2KIF11
SCHEMBL6529273 1.00 KCNH2 (0.76) KCNH2KIF11
SCHEMBL4057149 0.88 KCNH2 (0.89) KCNH2KIF11
SCHEMBL13655871 0.88 KCNH2 (0.89) KCNH2KIF11
SCHEMBL4062744 0.88 KCNH2 (0.89) KCNH2KIF11
SCHEMBL4058089 0.86 KCNH2 (1.00) KCNH2KIF11
SCHEMBL4058145 0.82 KIF11 (1.00) KCNH2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4773961-B2 2011-09-14 JP claimed
JP-2007502774-A 2007-02-15 JP claimed
EP-1664026-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-06-07 EP claimed
WO-2005019206-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-03-03 WO claimed
EP-1664026-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005019206-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-03-03 WO disclosed