SCHEMBL8302876

SCHEMBL8302876

C[C@H]1CN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CCN1C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 19/20 0.77

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
SCHEMBL5023997 1.00 KCNH2 (0.77) KCNH2
SCHEMBL5076826 0.92 KCNH2 (0.73) KCNH2
SCHEMBL8302879 0.92 KCNH2 (0.73) KCNH2
SCHEMBL5023633 0.88 KCNH2 (0.74) KCNH2
SCHEMBL5077512 0.87 KCNH2 (1.00) KCNH2
SCHEMBL11932015 0.82 KCNH2 (0.83) KCNH2
SCHEMBL21023251 0.82 KCNH2 (0.83) KCNH2
SCHEMBL11938559 0.80 KCNH2 (1.00) KCNH2
SCHEMBL5076794 0.80 KCNH2 (1.00) KCNH2
SCHEMBL13934141 0.79 KCNH2 (0.61) KCNH2

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-2004089922-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO disclosed