SCHEMBL2880233

SCHEMBL2880233

COc1ccc2nc(N3CCN([C@@H]4CN[C@H](C(=O)N5CCSC5)C4)CC3)n(-c3ccccc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.67
DPP8 Q6V1X1 2/20 0.60
DPP9 Q86TI2 2/20 0.60
PTGS2 P35354 1/20 0.60
HRH1 P35367 1/20 0.60
KCNH2 Q12809 1/20 0.60

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
SCHEMBL2851926 0.94 DPP4 (0.67) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2875271 0.88 DPP4 (0.70) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2851946 0.88 DPP4 (0.74) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2855329 0.83 DPP4 (0.70) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2859685 0.83 DPP4 (0.60) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2710567 0.82 DPP4 (0.72) DPP4DPP8DPP9
SCHEMBL2851989 0.81 DPP4 (0.68) DPP4DPP8DPP9PTGS2HRH1
Hydrochloric Acid SCHEMBL5960982 0.81 DPP4 (0.71) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2711626 0.80 DPP4 (0.73) DPP4DPP8DPP9
SCHEMBL2859005 0.80 DPP4 (0.75) 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