SCHEMBL6097370

SCHEMBL6097370

CN(C(=O)c1cnn(C)c1)c1ccc(C(Cc2ccccc2F)c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 9/20 0.38
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
ADORA1 P30542 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
TNKS O95271 5/20 0.33
TNKS2 Q9H2K2 5/20 0.33
PARP1 P09874 4/20 0.33

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
SCHEMBL3978799 0.89 PCK1 (0.37) PCK1HPGD
SCHEMBL3980519 0.89 PCK1 (0.36) PCK1ADORA2AADORA2BADORA1ADORA3
SCHEMBL3978805 0.89 PCK1 (0.38) PCK1
SCHEMBL3978683 0.88 PCK1 (0.36) PCK1
SCHEMBL3979468 0.88 PCK1 (0.37) PCK1
SCHEMBL3979620 0.88 PCK1 (0.39) PCK1
SCHEMBL6097162 0.87 PCK1 (0.36) PCK1ADORA2AADORA2BADORA1ADORA3
SCHEMBL3979642 0.87 PCK1 (0.35) PCK1
SCHEMBL3979536 0.86 PCK1 (0.41) PCK1
SCHEMBL3978897 0.86 PCK1 (0.37) 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