SCHEMBL6107604

SCHEMBL6107604

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
RXRA P19793 1/20 0.35

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
SCHEMBL6108430 0.92 DPP4 (0.49) DPP4
SCHEMBL6108595 0.91 DPP4 (0.42) DPP4KDM4EKMT2A
SCHEMBL6106220 0.89 DPP4 (0.45) DPP4
SCHEMBL6107516 0.89 DPP4 (0.41) DPP4
SCHEMBL6108026 0.89 DPP4 (0.43) DPP4KDM4EKMT2ARXRA
SCHEMBL6109497 0.89 DPP4 (0.50) DPP4HPGDKDM4EKMT2A
SCHEMBL6107740 0.88 PGR (0.39) DPP4
SCHEMBL6108201 0.88 DPP4 (0.39) DPP4
SCHEMBL6108025 0.88 DPP4 (0.44) DPP4KDM4EKMT2A
SCHEMBL6107876 0.87 DPP4 (0.43) 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