SCHEMBL6509717

SCHEMBL6509717

COc1c(N2CC3CCCC3(C(N)CC#N)C2)c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL6501206 0.91 KCNH2 (0.31) KCNH2
SCHEMBL6501496 0.78 KCNH2 (0.34) KCNH2
SCHEMBL6503701 0.76 KCNH2 (0.60) KCNH2
SCHEMBL8113361 0.73 KDM4E (0.40) KCNH2
SCHEMBL6502180 0.73 KCNH2 (0.60) KCNH2CYP3A4
SCHEMBL1628321 0.73 KCNH2 (0.38) KCNH2
SCHEMBL1628646 0.72 PIM3 (0.42) KCNH2
SCHEMBL1558105 0.72 ALDH1A1 (0.37) KCNH2CYP3A4
SCHEMBL1552485 0.72 ALDH1A1 (0.37) KCNH2CYP3A4
SCHEMBL6506826 0.72 KCNH2 (0.35) 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-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO claimed