SCHEMBL6804183

SCHEMBL6804183

CC#CCn1c(N2CCN(C(=O)O)CC2)nc2cc(C(OC)(OC)OC)[nH]c(=O)c21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.36
CHRM1 P11229 2/20 0.35
FAP Q12884 6/20 0.35
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2956849 0.90 KCNH2 (0.41) DPP4GAAL3MBTL1
SCHEMBL13217477 0.77 KCNH2 (0.48) GAAL3MBTL1
SCHEMBL6386721 0.76 DPP4 (0.47) DPP4CHRM1FAP
SCHEMBL6411044 0.73 DPP4 (0.49) DPP4CHRM1FAP
Trifluoroacetic Acid SCHEMBL2961353 0.72 DPP4 (0.44) DPP4CHRM1FAP
SCHEMBL5776712 0.71 GAA (0.39) DPP4GAAL3MBTL1
Trifluoroacetic Acid SCHEMBL6798563 0.71 DPP4 (0.46) DPP4CHRM1FAP
SCHEMBL5718890 0.70 NPC1 (0.54) DPP4GAAL3MBTL1
SCHEMBL2954596 0.70 DPP4 (0.42) DPP4
SCHEMBL2959374 0.70 KCNH2 (0.40) DPP4CHRM1

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-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US disclosed