SCHEMBL2856432

SCHEMBL2856432

Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2Cl)n1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.84
DPP8 Q6V1X1 3/20 0.79
DPP9 Q86TI2 3/20 0.79
PTGS2 P35354 1/20 0.79
HRH1 P35367 1/20 0.79
KCNH2 Q12809 1/20 0.79

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
SCHEMBL2851974 0.92 DPP4 (0.86) DPP4DPP8DPP9PTGS2HRH1
Hydrochloric Acid SCHEMBL2854737 0.90 DPP4 (0.98) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2851950 0.89 DPP4 (0.81) DPP4DPP8DPP9PTGS2HRH1
Teneligliptin SCHEMBL17270067 0.88 DPP4 (1.00) DPP4DPP8DPP9PTGS2HRH1
Teneligliptin SCHEMBL254082 0.88 DPP4 (1.00) DPP4DPP8DPP9PTGS2HRH1
Teneligliptin SCHEMBL161778 0.88 DPP4 (1.00) DPP4DPP8DPP9PTGS2HRH1
Teneligliptin SCHEMBL16451097 0.88 DPP4 (1.00) DPP4DPP8DPP9PTGS2HRH1
Teneligliptin SCHEMBL17270087 0.88 DPP4 (1.00) DPP4DPP8DPP9PTGS2HRH1
Teneligliptin SCHEMBL2711577 0.88 DPP4 (0.98) DPP4DPP8DPP9PTGS2HRH1
Teneligliptin SCHEMBL17065851 0.88 DPP4 (0.98) DPP4DPP8DPP9PTGS2HRH1

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