SCHEMBL13866877

SCHEMBL13866877

CC#CCn1c(=O)n(C)c2nc(Cl)nc(N3CCCC(NC(=O)OC(C)(C)C)C3)c21

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.59
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46

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
SCHEMBL13866879 0.84 DPP4 (0.48) DPP4
Trifluoroacetic Acid SCHEMBL3879683 0.83 DPP4 (0.43) DPP4
SCHEMBL3892070 0.80 DPP4 (0.76) DPP4
SCHEMBL640207 0.80 DPP4 (0.76) DPP4
SCHEMBL3335194 0.80 DPP4 (0.72) DPP4
SCHEMBL638284 0.80 DPP4 (0.72) DPP4
SCHEMBL3972488 0.80 DPP4 (0.81) DPP4
SCHEMBL637620 0.80 DPP4 (0.75) DPP4
SCHEMBL13866878 0.79 DPP4 (0.65) DPP4
SCHEMBL3973740 0.79 DPP4 (0.80) DPP4

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-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed