SCHEMBL2857477

SCHEMBL2857477

O=C([C@@H]1C[C@H](N2CCN(c3cc4ccccc4n3-c3ccccc3)CC2)CN1)N1CCSC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.74
PTGS2 P35354 1/20 0.68
HRH1 P35367 1/20 0.68
KCNH2 Q12809 1/20 0.68
DPP8 Q6V1X1 1/20 0.68
DPP9 Q86TI2 1/20 0.68

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
SCHEMBL2853991 0.87 DPP4 (0.76) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2851946 0.86 DPP4 (0.74) DPP4PTGS2HRH1KCNH2DPP8
Hydrochloric Acid SCHEMBL2708846 0.85 DPP4 (0.98) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2849780 0.83 DPP4 (0.78) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2854247 0.82 DPP4 (0.70) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2855329 0.81 DPP4 (0.70) DPP4PTGS2HRH1KCNH2DPP8
SCHEMBL2875271 0.81 DPP4 (0.70) DPP4PTGS2HRH1KCNH2DPP8
Teneligliptin SCHEMBL16451097 0.81 DPP4 (1.00) DPP4PTGS2HRH1KCNH2DPP8
Teneligliptin SCHEMBL17270087 0.81 DPP4 (1.00) DPP4PTGS2HRH1KCNH2DPP8
Teneligliptin SCHEMBL254082 0.81 DPP4 (1.00) DPP4PTGS2HRH1KCNH2DPP8

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