SCHEMBL6109503

SCHEMBL6109503

Cc1ccc(-c2c(CN(C(=O)O)C(C)(C)C)n(CC(C)C)c(=O)c3ccc(OS(=O)(=O)C(F)(F)F)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.53

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
SCHEMBL6109750 0.93 DPP4 (0.46) DPP4
SCHEMBL6108716 0.93 DPP4 (0.47) DPP4
SCHEMBL6107920 0.90 DPP4 (0.54) DPP4
SCHEMBL6109501 0.88 DPP4 (0.46) DPP4
SCHEMBL6106415 0.86 DPP4 (0.74) DPP4
SCHEMBL5237143 0.85 DPP4 (0.56) DPP4
SCHEMBL6106801 0.85 DPP4 (0.56) DPP4
SCHEMBL6108638 0.85 DPP4 (0.45) DPP4
SCHEMBL6108455 0.85 DPP4 (0.57) DPP4
SCHEMBL6110160 0.85 DPP4 (0.40) DPP4

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-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed