SCHEMBL6098210

SCHEMBL6098210

CCN(C(=O)c1c(C)nn(C)c1C)c1ccc(C(Cc2ccccc2F)c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC2CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 11/20 0.34
NOS2 P35228 1/20 0.30
THRB P10828 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL6097396 0.92 PCK1 (0.36) PCK1
SCHEMBL3982794 0.89 PCK1 (0.33) PCK1
SCHEMBL3980646 0.89 PCK1 (0.35) PCK1
SCHEMBL6097677 0.86 PCK1 (0.35) PCK1ADORA2AADORA2B
SCHEMBL4299310 0.84 PCK1 (0.35) PCK1
SCHEMBL4614369 0.81 PCK1 (0.47) PCK1
SCHEMBL6096021 0.81 PCK1 (0.38) PCK1NOS2
SCHEMBL3980021 0.81 PCK1 (0.34) PCK1
SCHEMBL6096610 0.80 PCK1 (0.36) PCK1
SCHEMBL3982926 0.80 PCK1 (0.36) PCK1NOS2

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-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US claimed