SCHEMBL4701405

SCHEMBL4701405

C#CC1CC[C@@H](C#N)N1C(=O)CN[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)cc2-c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.53
DPP9 Q86TI2 2/20 0.53
PTGDR2 Q9Y5Y4 3/20 0.38
EPHX2 P34913 1/20 0.37
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
CHRM3 P20309 1/20 0.35

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
SCHEMBL646522 1.00 DPP4 (0.53) DPP4DPP9PTGDR2EPHX2BCL9
SCHEMBL646857 1.00 DPP4 (0.53) DPP4DPP9PTGDR2EPHX2BCL9
SCHEMBL647435 0.86 DPP4 (0.58) DPP4DPP9EPHX2DPP8
SCHEMBL647594 0.85 DPP4 (0.55) DPP4DPP9EPHX2DPP8
SCHEMBL647580 0.84 DPP4 (0.53) DPP4DPP9EPHX2DPP8
SCHEMBL648583 0.84 DPP4 (0.53) DPP4DPP9EPHX2DPP8
SCHEMBL4756036 0.84 DPP4 (0.53) DPP4DPP9EPHX2DPP8
SCHEMBL648116 0.83 DPP4 (0.62) DPP4DPP9EPHX2DPP8
SCHEMBL647636 0.83 DPP4 (0.62) DPP4DPP9EPHX2DPP8
SCHEMBL1381489 0.82 DPP4 (0.52) DPP4DPP9DPP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560811-B9 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2008-03-05 EP disclosed
EP-1560811-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2007-08-01 EP disclosed