SCHEMBL2856736

SCHEMBL2856736

O=C([C@@H]1C[C@H](N2CCC(n3ccnc3-c3ccccn3)CC2)CN1)N1CCSC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.64
DPP8 Q6V1X1 1/20 0.56
DPP9 Q86TI2 1/20 0.56

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
SCHEMBL2857541 0.90 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL2861999 0.90 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL2848177 0.87 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL2857150 0.80 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL2854199 0.80 DPP4 (0.63) DPP4DPP8DPP9
SCHEMBL2854000 0.79 DPP4 (0.62) DPP4DPP8DPP9
SCHEMBL2858925 0.79 DPP4 (0.62) DPP4DPP8DPP9
SCHEMBL2856914 0.79 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL2855966 0.78 DPP4 (0.69) DPP4
Hydrochloric Acid SCHEMBL2708942 0.78 DPP4 (0.71) 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-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed