SCHEMBL5239304

SCHEMBL5239304

CC(C)C(N)C(=O)N1CCCC1OC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.56
DPP7 Q9UHL4 10/20 0.56
FAP Q12884 8/20 0.56
DPP8 Q6V1X1 7/20 0.56
DPP9 Q86TI2 6/20 0.56
PREP P48147 4/20 0.56
PITRM1 Q5JRX3 1/20 0.56

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
SCHEMBL15026074 0.81 DPP4 (0.55) DPP4DPP7FAPDPP8DPP9
SCHEMBL15024866 0.80 DPP4 (0.60) DPP4DPP7FAPDPP8DPP9
SCHEMBL10982207 0.78 ACE (0.62)
SCHEMBL30729305 0.76 DPP4 (0.60) DPP4DPP7FAPDPP8DPP9
SCHEMBL571628 0.76 DPP4 (0.60) DPP4DPP7FAPDPP8DPP9
SCHEMBL30729255 0.76 DPP4 (0.60) DPP4DPP7FAPDPP8DPP9
SCHEMBL28536705 0.76 DPP4 (0.60) DPP4DPP7FAPDPP8DPP9
SCHEMBL1647354 0.76 DPP4 (0.60) DPP4DPP7FAPDPP8DPP9
SCHEMBL8212654 0.76 DPP4 (0.60) DPP4DPP7FAPDPP8DPP9
SCHEMBL28609483 0.76 DPP4 (0.68) DPP4DPP7FAPDPP8DPP9

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-1799683-A1 HEXAHYDRO-PYRAZINO[1,2-A]PYRIMIDINE-4, 7-DIONE DERIVATIVES SUBSTITUTED WITH AMINO ACIDS Sanofi-Aventis Deutschland GmbH (DE) 2007-06-27 EP disclosed
WO-2006024390-A1 HEXAHYDRO-PYRAZINO[1,2-A]PYRIMIDINE-4, 7-DIONE DERIVATIVES SUBSTITUTED WITH AMINO ACIDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-03-09 WO disclosed