SCHEMBL138094

SCHEMBL138094

CC[C@H](C)[C@H](N)C(=O)OC(=O)[C@@H]1CCCN1OC(=O)[C@@H]1CCCN1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.38
DPP8 Q6V1X1 5/20 0.36
DPP9 Q86TI2 4/20 0.36
DPP7 Q9UHL4 3/20 0.36
FAP Q12884 2/20 0.36
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL137918 0.90 DPP4 (0.34) DPP4DPP8DPP9DPP7FAP
SCHEMBL1271957 0.85 DPP4 (0.40) DPP4DPP8DPP9DPP7FAP
SCHEMBL139232 0.84 DPP4 (0.35) DPP4DPP8DPP9DPP7FAP
SCHEMBL1537462 0.84 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL1537324 0.84 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL3692761 0.79 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL6894684 0.78 DPP4 (0.38) DPP4DPP8DPP9DPP7FAP
Threonine SCHEMBL4405364 0.77 DPP4 (0.34) DPP4DPP8DPP9DPP7FAP
SCHEMBL3422835 0.76 DPP8 (0.45) DPP4DPP8DPP9DPP7FAP
SCHEMBL8941804 0.73 DPP4 (0.40) DPP4DPP8DPP9DPP7FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673854-B2 Prophylactic agent for heart failure CALPIS CO., LTD. (JP) 2014-03-18 US disclosed
EP-2138184-B1 TRIPEPTIDES FOR USE IN PREVENTING KIDNEY GLOMERULAR DISEASE CALPIS CO LTD (JP) 2013-09-18 EP disclosed
EP-2130546-B1 TRIPEPTIDES FOR USE IN TREATING HEART WALL THICKENING CALPIS CO LTD (JP) 2013-02-27 EP disclosed
US-20120077735-A1 PROPHYLACTIC AGENT FOR RENAL FAILURE HIROTA TATSUHIKO (JP) 2012-03-29 US disclosed
US-20120058947-A1 PROPHYLACTIC AGENT FOR HEART FAILURE ASAHI GROUP FOODS, LTD. (JP) 2012-03-08 US disclosed
US-20100022748-A1 PROPHYLACTIC AGENT FOR RENAL FAILURE CALPIS CO., LTD. (JP) 2010-01-28 US disclosed
US-20100022747-A1 PROPHYLACTIC AGENT FOR HEART FAILURE CALPIS CO., LTD. (JP) 2010-01-28 US disclosed
EP-2138184-A1 PROPHYLACTIC AGENT FOR RENAL FAILURE Calpis Co., Ltd. (JP) 2009-12-30 EP disclosed
EP-2130546-A1 PROPHYLACTIC AGENT FOR HEART FAILURE Calpis Co., Ltd. (JP) 2009-12-09 EP disclosed