SCHEMBL9407289

SCHEMBL9407289

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.59
DPP8 Q6V1X1 13/20 0.59
DPP9 Q86TI2 10/20 0.59
DPP7 Q9UHL4 10/20 0.59
FAP Q12884 7/20 0.52
PREP P48147 2/20 0.46
ACE P12821 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
SCHEMBL27452954 0.86 DPP4 (0.80) DPP4DPP8DPP9DPP7FAP
SCHEMBL2195630 0.86 DPP4 (0.80) DPP4DPP8DPP9DPP7FAP
SCHEMBL5713150 0.86 DPP4 (0.80) DPP4DPP8DPP9DPP7FAP
SCHEMBL7298604 0.86 DPP4 (0.80) DPP4DPP8DPP9DPP7FAP
SCHEMBL5713152 0.86 DPP4 (0.80) DPP4DPP8DPP9DPP7FAP
SCHEMBL2182020 0.86 DPP4 (0.80) DPP4DPP8DPP9DPP7FAP
SCHEMBL8501824 0.82 DPP4 (0.74) DPP4DPP8DPP9DPP7FAP
SCHEMBL5901033 0.81 ACE (0.66) ACE
SCHEMBL7444796 0.80 DPP4 (0.52) DPP4DPP8DPP9DPP7FAP
SCHEMBL7445441 0.79 DPP4 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629212-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF. GYOGYSZERKUTATO INTEZET (HU) 1994-12-21 EP claimed
WO-1993018060-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF Gyógyszerkutató Intézet Kft. (HU) 1993-09-16 WO claimed