SCHEMBL2859005

SCHEMBL2859005

COc1ccc2nc(N3CCN([C@@H]4CN[C@H](C(=O)N5CCSC5)C4)CC3)oc2c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.75
DPP8 Q6V1X1 2/20 0.55
DPP9 Q86TI2 1/20 0.55
DPP7 Q9UHL4 1/20 0.53

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
SCHEMBL2852076 0.94 DPP4 (0.75) DPP4DPP8DPP9DPP7
SCHEMBL2861946 0.88 DPP4 (0.78) DPP4
SCHEMBL2856580 0.87 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL2855926 0.85 DPP4 (0.88) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2709307 0.85 DPP4 (0.98) DPP4DPP8DPP9DPP7
SCHEMBL2855882 0.83 DPP4 (0.78) DPP4
Hydrochloric Acid SCHEMBL2711626 0.82 DPP4 (0.73) DPP4DPP8DPP9
SCHEMBL2880233 0.80 DPP4 (0.67) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2710583 0.80 DPP4 (0.98) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2708605 0.80 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