SCHEMBL6202306

SCHEMBL6202306

CCCC(C)C[C@H](N)C(=O)N1CCCC1C#N

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.63
DPP8 Q6V1X1 9/20 0.60
DPP7 Q9UHL4 8/20 0.60
DPP9 Q86TI2 6/20 0.60
FAP Q12884 1/20 0.55

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
SCHEMBL1378288 0.84 DPP4 (0.61) DPP4DPP8DPP7DPP9FAP
Hydrochloric Acid SCHEMBL6204799 0.83 DPP4 (0.60) DPP4DPP8DPP7DPP9FAP
Hydrochloric Acid SCHEMBL6204796 0.83 DPP4 (0.60) DPP4DPP8DPP7DPP9FAP
SCHEMBL13034928 0.82 DPP4 (0.79) DPP4DPP8DPP7DPP9FAP
SCHEMBL15130351 0.82 DPP4 (0.79) DPP4DPP8DPP7DPP9FAP
SCHEMBL8277346 0.79 DPP4 (0.65) DPP4DPP8DPP7DPP9
SCHEMBL14392392 0.79 DPP4 (0.65) DPP4DPP8DPP7DPP9
SCHEMBL14392760 0.78 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP
SCHEMBL15636202 0.78 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP
SCHEMBL15636200 0.78 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP

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-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP disclosed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 WO disclosed