SCHEMBL2856911

SCHEMBL2856911

CC(C)(C)OC(=O)N1C[C@@H](N2CCN(c3cc(C(F)(F)F)nc4c(OCC(F)(F)F)cccc34)CC2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
RORC P51449 1/20 0.35
HTR1A P08908 1/20 0.34
TGM2 P21980 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL2849736 0.95 DPP4 (0.49) DPP4DPP8DPP9RORCHTR1A
SCHEMBL2708189 0.93 DPP4 (0.51) DPP4DPP8DPP9HTR1ATGM2
SCHEMBL2856739 0.92 DPP4 (0.50) DPP4DPP8DPP9HTR1ATGM2
SCHEMBL2860543 0.91 DPP4 (0.49) DPP4DPP8DPP9HTR1ATGM2
SCHEMBL2709330 0.91 DPP4 (0.52) DPP4DPP8DPP9TGM2
SCHEMBL2709329 0.90 DPP4 (0.52) DPP4DPP8DPP9TGM2
SCHEMBL2855142 0.90 DPP4 (0.52) DPP4DPP8DPP9HTR1ATGM2
SCHEMBL2707892 0.90 DPP4 (0.52) DPP4DPP8DPP9TGM2
SCHEMBL2710990 0.89 DPP4 (0.51) DPP4DPP8DPP9TGM2
SCHEMBL2709325 0.86 DPP4 (0.65) DPP4DPP8DPP9DRD2

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