SCHEMBL5516636

SCHEMBL5516636

C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCC(Oc2ccccn2)CC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.74
DPP9 Q86TI2 2/20 0.74
DPP8 Q6V1X1 1/20 0.51
AVPR1A P37288 1/20 0.39

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
SCHEMBL646326 1.00 DPP4 (0.74) DPP4DPP9DPP8AVPR1A
SCHEMBL645584 0.88 DPP4 (0.68) DPP4DPP9DPP8
SCHEMBL648011 0.85 DPP4 (1.00) DPP4DPP9DPP8
SCHEMBL646174 0.85 DPP4 (0.80) DPP4DPP9DPP8
SCHEMBL647408 0.85 DPP4 (0.64) DPP4DPP9DPP8
SCHEMBL645951 0.85 DPP4 (0.80) DPP4DPP9DPP8
SCHEMBL5525634 0.85 DPP4 (0.64) DPP4DPP9DPP8
SCHEMBL5633737 0.85 DPP4 (0.80) DPP4DPP9DPP8
SCHEMBL6250940 0.85 DPP4 (0.80) DPP4DPP9DPP8
SCHEMBL647592 0.84 DPP4 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238724-B2 Antidiabetic agents; hyperlipemic agents; obestity; immunomoderator; atherosclerosis ABBOTT LABORATORIES (US) 2007-07-03 US claimed
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