SCHEMBL4705697

SCHEMBL4705697

C#CC1CC[C@@H](C#N)N1C(=O)CN[C@]1(C)CC[C@@H](Oc2ccccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.57
DPP9 Q86TI2 1/20 0.53
IP6K1 Q92551 1/20 0.40

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
SCHEMBL647349 1.00 DPP4 (0.57) DPP4DPP9IP6K1
SCHEMBL647410 0.86 DPP4 (0.58) DPP4DPP9IP6K1
SCHEMBL648349 0.86 DPP4 (0.73) DPP4DPP9IP6K1
SCHEMBL645765 0.84 DPP4 (0.56) DPP4DPP9
SCHEMBL645608 0.84 DPP4 (0.56) DPP4DPP9
SCHEMBL646326 0.84 DPP4 (0.74) DPP4DPP9
SCHEMBL5516636 0.84 DPP4 (0.74) DPP4DPP9
SCHEMBL647250 0.83 DPP4 (0.55) DPP4DPP9
SCHEMBL646735 0.83 DPP4 (0.59) DPP4DPP9
SCHEMBL648128 0.82 DPP4 (0.75) DPP4DPP9

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