SCHEMBL5494523

SCHEMBL5494523

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)C1NCCS1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.39
ELANE P08246 14/20 0.38
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
F2 P00734 2/20 0.33

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
SCHEMBL5494456 0.91 XIAP (0.45) XIAPELANEDPP4PREPFAP
SCHEMBL29689606 0.80 XIAP (0.53) XIAPELANEDPP4PREPFAP
SCHEMBL5493484 0.77 NPSR1 (0.33)
SCHEMBL5493485 0.77 NPSR1 (0.33)
SCHEMBL5496665 0.77 ELANE (0.46) XIAPELANEDPP4DPP8DPP9
SCHEMBL3843803 0.74 POLB (0.47) XIAPELANE
SCHEMBL30563254 0.74 ELANE (0.44) XIAPELANEDPP4PREPFAP
SCHEMBL22546193 0.74 XIAP (0.49) XIAPELANEDPP4PREPFAP
SCHEMBL5489331 0.73 DPP7 (0.41) DPP4DPP8DPP9
SCHEMBL5489340 0.73 DPP7 (0.41) DPP4DPP8DPP9

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-7166579-B2 Prodrugs of DP IV-inhibitors PROSIDION LIMITED (GB) 2007-01-23 US claimed