SCHEMBL2856466

SCHEMBL2856466

Cc1nc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)c(-c2ccccn2)s1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.68
DPP8 Q6V1X1 2/20 0.62
DPP9 Q86TI2 2/20 0.62
PTGS2 P35354 1/20 0.57
HRH1 P35367 1/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL2855057 0.88 DPP4 (0.67) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2857150 0.86 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL2850234 0.86 DPP4 (0.67) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2857453 0.85 DPP4 (0.66) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2856645 0.83 DPP4 (0.69) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2711418 0.81 DPP4 (0.98) DPP4DPP8DPP9
SCHEMBL2848177 0.80 DPP4 (0.61) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2860105 0.80 DPP4 (0.76) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2709312 0.79 DPP4 (1.00) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5960969 0.79 DPP4 (0.98) DPP4DPP8DPP9

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-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed