SCHEMBL9218974

SCHEMBL9218974

N=C(N)NCCC[C@@H](C=O)N(C(=O)[C@@H]1CCCN1C(=O)CN)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.44
ACE P12821 9/20 0.37
F2 P00734 3/20 0.35
ACE2 Q9BYF1 3/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
FKBP1A P62942 1/20 0.35

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
SCHEMBL7433766 0.91 DPP4 (0.42) DPP4ACEF2ACE2
Sulfuric Acid SCHEMBL7430652 0.88 DPP4 (0.40) DPP4ACEF2ACE2
SCHEMBL7444009 0.87 DPP4 (0.42) DPP4ACEF2ACE2FKBP1A
Hydrochloric Acid SCHEMBL7415872 0.87 DPP4 (0.41) DPP4ACEF2ACE2FKBP1A
SCHEMBL7106838 0.86 ACE (0.39) DPP4ACEF2ACE2
Sulfuric Acid SCHEMBL9554342 0.85 DPP4 (0.37) DPP4ACEF2ACE2
SCHEMBL9221310 0.85 DPP4 (0.38) DPP4ACEF2FKBP1A
Sulfuric Acid SCHEMBL7436108 0.84 ACE (0.37) DPP4ACEF2ACE2
SCHEMBL9226805 0.79 DPP4 (0.38) DPP4ACEF2
SCHEMBL9223179 0.78 DPP4 (0.42) DPP4ACEF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US claimed