SCHEMBL3511977

SCHEMBL3511977

CC(C(=O)O)C(O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.60
DPP8 Q6V1X1 8/20 0.60
DPP9 Q86TI2 7/20 0.60
DPP7 Q9UHL4 7/20 0.60
FAP Q12884 5/20 0.60
TACR1 P25103 1/20 0.49
ACE P12821 1/20 0.47
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46

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
SCHEMBL3511981 1.00 DPP4 (0.60) DPP4DPP8DPP9DPP7FAP
SCHEMBL6162266 0.80 DPP4 (0.73) DPP4DPP8DPP9DPP7FAP
SCHEMBL24989201 0.79 DPP4 (0.69) DPP4DPP8DPP9DPP7FAP
SCHEMBL14985801 0.78 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
SCHEMBL7843703 0.77 DPP4 (0.56) DPP4DPP8DPP9DPP7FAP
SCHEMBL6436643 0.77 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL7375090 0.77 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL31026624 0.77 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL5900809 0.77 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL3726263 0.77 ACE (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297751-A1 Non-Ribosomal Peptide Synthetases WONDRUG BIOSCIENCES GMBH (DE) 2010-11-25 US disclosed
US-20100285563-A1 Non-Ribosomal Peptide Synthetases WONDRUG BIOSCIENCES GMBH (DE) 2010-11-11 US disclosed
EP-1255816-B1 TAILORED PEPTIDE SYNTHETASES, A METHOD FOR THEIR PRODUCTION AND THE USE THEREOF CUBIST PHARMACEUTICAL INC (US) 2006-06-21 EP disclosed