SCHEMBL6110347

SCHEMBL6110347

CCCCOc1c(CN(C(=O)O)C(C)(C)C)n(CCC)c(=O)c2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.44
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
NR1H2 P55055 1/20 0.39
RORB Q92753 1/20 0.39
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HTR2C P28335 2/20 0.35
OXER1 Q8TDS5 3/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
GSK3B P49841 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
CRHBP P24387 1/20 0.34

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
SCHEMBL6109066 0.85 DPP4 (0.40) DPP4RORARORCNR1H2RORB
SCHEMBL6108264 0.83 ALDH1A1 (0.38) KDM4EGAAHPGDMEN1POLB
SCHEMBL5233023 0.82 DPP4 (0.49) DPP4RORARORCNR1H2RORB
SCHEMBL6106935 0.81 PTGER4 (0.32) GAAPOLB
SCHEMBL6108888 0.81 RORA (0.36) DPP4RORARORCRORBKDM4E
SCHEMBL6107104 0.81 RORA (0.36) DPP4RORARORCRORBGAA
SCHEMBL6109924 0.81 DPP4 (0.32) DPP4GAAPOLB
SCHEMBL5237189 0.81 DPP4 (0.50) DPP4RORARORCNR1H2RORB
SCHEMBL5240942 0.81 DPP4 (0.47) DPP4RORARORCNR1H2RORB
SCHEMBL6109932 0.80 KDM4E (0.34) DPP4RORARORCRORBKDM4E

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