SCHEMBL2855083

SCHEMBL2855083

Cc1cn(C2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)c(-c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.64
PTGS2 P35354 1/20 0.57
HRH1 P35367 1/20 0.57
KCNH2 Q12809 1/20 0.57
DPP8 Q6V1X1 1/20 0.57
DPP9 Q86TI2 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
SCHEMBL2848177 0.88 DPP4 (0.61) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2861999 0.85 DPP4 (0.65) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2855966 0.83 DPP4 (0.69) DPP4
SCHEMBL2876987 0.82 DPP4 (0.62) DPP4DPP8DPP9
SCHEMBL2857079 0.82 DPP4 (0.68) DPP4PTGS2HRH1KCNH2DPP8
Hydrochloric Acid SCHEMBL2855448 0.81 DPP4 (0.62) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2854204 0.79 DPP4 (0.74) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2855057 0.79 DPP4 (0.67) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2860337 0.79 DPP4 (0.66) DPP4PTGS2HRH1KCNH2DPP8
Hydrochloric Acid SCHEMBL2711535 0.78 DPP4 (0.65) 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