SCHEMBL13939331

SCHEMBL13939331

Cc1cnc2nc(CC3=C(O)CC(CCc4ccc(C(C)(C)O)c(F)c4)(C4CCCC4)OC3=O)nn2c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.31
KCNQ2 O43526 2/20 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
SCHEMBL3987244 0.93 KCNQ3 (0.33) KCNQ3KCNQ2
SCHEMBL3993353 0.93
SCHEMBL6801762 0.92
SCHEMBL4477359 0.92
SCHEMBL3984868 0.91 KCNQ3 (0.31) KCNQ3KCNQ2
SCHEMBL3993807 0.90 KCNQ3 (0.31) KCNQ3KCNQ2
SCHEMBL3994093 0.89 KCNQ3 (0.30) KCNQ3KCNQ2
SCHEMBL4465863 0.87
SCHEMBL4468617 0.86
SCHEMBL3990510 0.86 TSHR (0.35) KCNQ3KCNQ2

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-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed