SCHEMBL4566115

SCHEMBL4566115

BON(CCC1CCC1)C(=O)C1CC(OC(=O)N2Cc3ccccc3C2)CN1C(=O)C(NC(=O)OCC(C)(C)C)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
XIAP P98170 5/20 0.32
BIRC3 Q13489 3/20 0.32
BIRC2 Q13490 3/20 0.30

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
SCHEMBL4407708 0.86 DPP8 (0.37) DPP8DPP9DPP4DPP7XIAP
SCHEMBL8239022 0.86 DPP8 (0.37) DPP8DPP9DPP4DPP7XIAP
SCHEMBL4406606 0.85 XIAP (0.33) DPP8DPP9XIAPBIRC3
SCHEMBL4458000 0.85 DPP8 (0.37) DPP8DPP9DPP4DPP7XIAP
SCHEMBL13594519 0.85 DPP8 (0.37) DPP8DPP9DPP4DPP7XIAP
SCHEMBL8230244 0.83 HTRA1 (0.37) DPP8DPP9XIAPBIRC3
SCHEMBL8230784 0.80 ELANE (0.34) DPP8DPP9DPP4DPP7XIAP
SCHEMBL8189392 0.77 NAMPT (0.34) DPP8DPP9
SCHEMBL8241586 0.75 ELANE (0.40) DPP8DPP9DPP4DPP7
SCHEMBL4407737 0.75 ELANE (0.40) DPP8DPP9DPP4DPP7

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-2029153-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR Phenomix Corporation (US) 2009-03-04 EP disclosed
WO-2007089618-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2007-08-09 WO disclosed