SCHEMBL6422754

SCHEMBL6422754

CC#CCn1c(N2CCN(C(=O)O)C(C(C)(C)C)C2)nc2c1c(=O)n(COC(=O)C(C)(C)C)c(=O)n2COC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.44
CHRM1 P11229 3/20 0.44
FAP Q12884 2/20 0.40
DPP9 Q86TI2 2/20 0.39
POU2F2 P09086 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
POU2F1 P14859 1/20 0.39
CHRM3 P20309 1/20 0.39
HRH2 P25021 1/20 0.39
MC4R P32245 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
GHSR Q92847 1/20 0.39

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
SCHEMBL6425924 0.93 DPP4 (0.42) DPP4CHRM1FAP
SCHEMBL6425388 0.92 DPP4 (0.43) DPP4CHRM1FAP
SCHEMBL6425261 0.82 ALDH1A1 (0.52) DPP4CHRM1CHRM3
SCHEMBL5719040 0.80 DPP4 (0.42) DPP4FAPDPP9
SCHEMBL5776712 0.76 GAA (0.39) DPP4DPP9
SCHEMBL5772185 0.76 HIF1A (0.36) DPP4CHRM1CHRM3
SCHEMBL5771832 0.75 TRPA1 (0.34) DPP4DPP9
SCHEMBL6424057 0.74 DPP4 (0.39) DPP4CHRM1CHRM3
SCHEMBL5719478 0.73 DPP4 (0.40) DPP4DPP9
SCHEMBL5718962 0.73 DPP4 (0.41) DPP4DPP9

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
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed