SCHEMBL6108552

SCHEMBL6108552

CCCCOc1c(CN(C(=O)O)C(C)(C)C)n(CC(C)(C)C)c(=O)c2ccc(CC#N)cc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.31
DPP4 P27487 1/20 0.31
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
SCHEMBL6108314 0.90 PGR (0.39) MAPK8DPP4
SCHEMBL6109676 0.88 DPP4 (0.35) DPP4
SCHEMBL6107482 0.87 NR1H3 (0.34) MAPK8DPP4
SCHEMBL6107104 0.86 RORA (0.36) DPP4
SCHEMBL6108888 0.86 RORA (0.36) MAPK8DPP4
SCHEMBL6110129 0.86 DPP4 (0.42) MAPK8DPP4
SCHEMBL6108268 0.85 DPP4 (0.35) DPP4
SCHEMBL6106644 0.85 LMNA (0.38) MAPK8DPP4
SCHEMBL6109932 0.85 KDM4E (0.34) DPP4
SCHEMBL6107387 0.85 HTT (0.35) 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