SCHEMBL6063522

SCHEMBL6063522

CC(C)C[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2SC[C@@H](C(=O)O)N2C1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
GFER P55789 1/20 0.32
PREP P48147 1/20 0.31
AGTR2 P50052 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 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
SCHEMBL6062357 1.00 DPP4 (0.36) DPP4GFERPREPAGTR2KDM4E
SCHEMBL6062214 0.92 DPP4 (0.38) DPP4GFERAGTR2KDM4ELMNA
SCHEMBL6063409 0.91 DPP4 (0.35) DPP4GFERAGTR2KDM4ELMNA
SCHEMBL6474079 0.91 DPP4 (0.35) DPP4GFERAGTR2KDM4ELMNA
SCHEMBL6479927 0.91 DPP4 (0.35) DPP4GFERAGTR2KDM4ELMNA
SCHEMBL6062512 0.89 DPP8 (0.32)
SCHEMBL1728832 0.84 DPP4 (0.35) DPP4GFER
SCHEMBL1728242 0.84 DPP4 (0.35) DPP4GFER
SCHEMBL1728385 0.84 DPP4 (0.35) DPP4GFER
SCHEMBL6063359 0.83 TOP2A (0.32)

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-7008957-B2 Bicyclic cyanoheterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-03-07 US disclosed