SCHEMBL4407736

SCHEMBL4407736

CC(C)(C)NC(=O)NC(C(=O)N1C[C@H](OC(=O)N2Cc3ccccc3C2)C[C@H]1C(=O)O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.38
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ELANE P08246 2/20 0.37
ACE P12821 1/20 0.35
DRD2 P14416 1/20 0.35
AGTR2 P50052 1/20 0.34
XIAP P98170 3/20 0.34
BIRC3 Q13489 3/20 0.34
POLB P06746 1/20 0.34
BIRC2 Q13490 4/20 0.34

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
SCHEMBL4407731 1.00 DPP8 (0.38) DPP8DPP4DPP9DPP7ELANE
SCHEMBL4407708 0.86 DPP8 (0.37) DPP8DPP4DPP9DPP7ELANE
SCHEMBL8239022 0.86 DPP8 (0.37) DPP8DPP4DPP9DPP7ELANE
SCHEMBL8060885 0.84 XIAP (0.36) DPP8DPP4DPP9DPP7XIAP
SCHEMBL8241586 0.81 ELANE (0.40) DPP8DPP4DPP9DPP7ELANE
SCHEMBL4407737 0.81 ELANE (0.40) DPP8DPP4DPP9DPP7ELANE
SCHEMBL13594519 0.79 DPP8 (0.37) DPP8DPP4DPP9DPP7ELANE
SCHEMBL4458000 0.79 DPP8 (0.37) DPP8DPP4DPP9DPP7ELANE
SCHEMBL4595406 0.77 DPP8 (0.35) DPP8DPP9DPP7ACEAGTR2
SCHEMBL8200153 0.77 DPP8 (0.35) DPP8DPP9DPP7ACEAGTR2

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
WO-2009046098-A1 NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 WO disclosed