SCHEMBL2854742

SCHEMBL2854742

COc1ccc2sc(C3CCN([C@@H]4CN[C@H](C(=O)N5CCSC5)C4)CC3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.60
DPP8 Q6V1X1 1/20 0.55
DPP9 Q86TI2 1/20 0.55

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
SCHEMBL2708990 0.85 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL2878278 0.85 DPP4 (0.76) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2709719 0.85 DPP4 (0.72) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2709076 0.83 DPP4 (0.58) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2710684 0.81 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL2859685 0.80 DPP4 (0.60) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2711626 0.79 DPP4 (0.73) DPP4DPP8DPP9
SCHEMBL2852076 0.77 DPP4 (0.75) DPP4DPP8DPP9
SCHEMBL2859005 0.76 DPP4 (0.75) DPP4DPP8DPP9
SCHEMBL2851926 0.76 DPP4 (0.67) 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