SCHEMBL6097396

SCHEMBL6097396

Cc1nn(C)c(C)c1C(=O)N(C)c1ccc(C(Cc2ccccc2F)c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 12/20 0.36
CCR5 P51681 1/20 0.31
PKM P14618 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
SCHEMBL6097677 0.94 PCK1 (0.35) PCK1CCR5PKM
SCHEMBL3980646 0.94 PCK1 (0.35) PCK1CCR5PKM
SCHEMBL6098210 0.92 PCK1 (0.34) PCK1
SCHEMBL4299310 0.89 PCK1 (0.35) PCK1
SCHEMBL6096021 0.88 PCK1 (0.38) PCK1
SCHEMBL6096610 0.87 PCK1 (0.36) PCK1CCR5
SCHEMBL3982926 0.86 PCK1 (0.36) PCK1
SCHEMBL6098692 0.85 PCK1 (0.36) PCK1PKM
SCHEMBL6098840 0.85 PCK1 (0.36) PCK1
SCHEMBL3980021 0.85 PCK1 (0.34) PCK1

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