SCHEMBL3365615

SCHEMBL3365615

COc1cc(OC)c2c(CNC(=O)OC(C)(C)C)ncc(C(=O)N(C)Cc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B2 P37059 1/20 0.37
AKT1 P31749 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL3363987 0.92 CLK1 (0.42) DPP4GAAHTTMEN1KMT2A
SCHEMBL3361777 0.90 TP53 (0.41) DPP4HPGDMEN1KMT2AROCK2
SCHEMBL3361175 0.87 HPGD (0.44) DPP4GAAHPGDHTTMEN1
SCHEMBL7716634 0.87 ABCC1 (0.38) DPP4GAAHTTMEN1KMT2A
SCHEMBL3363088 0.86 DPP4 (0.41) DPP4MEN1KMT2ACTSSPTPN1
SCHEMBL3363213 0.85 TLR8 (0.40) DPP4GAAMEN1KMT2AKDM4E
SCHEMBL3363099 0.84 DPP4 (0.49) DPP4GAACTSLPTPN1ALDH1A1
SCHEMBL3363889 0.83 DPP4 (0.59) DPP4GAAHPGDHTTMEN1
SCHEMBL3361307 0.82 DPP4 (0.46) DPP4CTSLALDH1A1NPSR1L3MBTL1
SCHEMBL3366103 0.81 TSHR (0.40) DPP4GAAHTTMEN1KMT2A

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