SCHEMBL6425924

SCHEMBL6425924

CC#CCn1c(N2CCN(C(=O)O)C(C(C)(C)C)C2)nc2c1c(=O)n(COC(=O)C(C)(C)C)c(=O)n2CCOCC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.42
CHRM1 P11229 2/20 0.42
FAP Q12884 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6425388 0.98 DPP4 (0.43) DPP4CHRM1FAPALDH1A1SMN1; SMN2
SCHEMBL6422754 0.93 DPP4 (0.44) DPP4CHRM1FAP
SCHEMBL5719478 0.82 DPP4 (0.40) DPP4ALDH1A1SMN1; SMN2
SCHEMBL5718962 0.80 DPP4 (0.41) DPP4ALDH1A1SMN1; SMN2
SCHEMBL6425261 0.78 ALDH1A1 (0.52) DPP4CHRM1ALDH1A1
SCHEMBL5719040 0.74 DPP4 (0.42) DPP4FAP
Trifluoroacetic Acid SCHEMBL5718899 0.72 DPP4 (0.57) DPP4FAPALDH1A1SMN1; SMN2
SCHEMBL5776712 0.71 GAA (0.39) DPP4ALDH1A1SMN1; SMN2
SCHEMBL5719799 0.71 DPP4 (0.59) DPP4CHRM1FAPALDH1A1SMN1; SMN2
SCHEMBL5772185 0.71 HIF1A (0.36) DPP4CHRM1ALDH1A1SMN1; SMN2

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