SCHEMBL3454680

SCHEMBL3454680

CCc1cc(CNC(=O)c2sc(-n3ccc(OCc4ccccc4)cc3=O)nc2C)oc1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.75

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
SCHEMBL3370669 0.87 SCD (0.81) SCD
SCHEMBL3370708 0.86 SCD (1.00) SCD
SCHEMBL13071869 0.85 SCD (0.75) SCD
SCHEMBL3370952 0.83 SCD (0.75) SCD
SCHEMBL3368442 0.83 SCD (0.75) SCD
SCHEMBL3369396 0.83 SCD (0.84) SCD
SCHEMBL3373636 0.82 SCD (0.81) SCD
SCHEMBL3373392 0.82 SCD (0.81) SCD
SCHEMBL3370391 0.82 SCD (0.81) SCD
SCHEMBL3370656 0.82 SCD (0.90) SCD

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
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US claimed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed