SCHEMBL3361990

SCHEMBL3361990

CCN(OC)C(=O)c1cnc(CNC(=O)OC(C)(C)C)c2cc(OC)c(OC)cc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.44
CTSL P07711 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.33
ENPP1 P22413 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL3361307 0.86 DPP4 (0.46) DPP4CTSLALDH1A1PDPK1
SCHEMBL3362196 0.84 DPP4 (0.46) DPP4
SCHEMBL3365213 0.84 DPP4 (0.47) DPP4CTSLPRMT5WDR77ENPP1
SCHEMBL3361923 0.82 DPP4 (0.64) DPP4
SCHEMBL3361175 0.80 HPGD (0.44) DPP4CTSL
SCHEMBL3361983 0.80 DPP4 (0.56) DPP4KDM4E
SCHEMBL3363973 0.79 DPP4 (0.43) DPP4CTSLPRMT5WDR77
SCHEMBL3360972 0.78 KMT2A (0.44) DPP4
SCHEMBL3365143 0.77 PDE10A (0.51) DPP4KDM4EALDH1A1
SCHEMBL3361880 0.76 DPP4 (0.47) DPP4PRMT5WDR77

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-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed