SCHEMBL5496665

SCHEMBL5496665

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.46
XIAP P98170 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5495154 0.90 XIAP (0.53) XIAPDPP4DPP8DPP9KMT2A
SCHEMBL8296681 0.90 XIAP (0.53) XIAPDPP4DPP8DPP9KMT2A
SCHEMBL29689606 0.86 XIAP (0.53) ELANEXIAPDPP4DPP8DPP9
SCHEMBL30563254 0.80 ELANE (0.44) ELANEXIAPDPP4KMT2A
SCHEMBL22546193 0.80 XIAP (0.49) ELANEXIAPDPP4DPP8DPP9
SCHEMBL31195362 0.79 ACE (0.48) ELANEXIAP
SCHEMBL3388723 0.78 XIAP (0.44) XIAPDPP4DPP8DPP9
SCHEMBL12272846 0.78 XIAP (0.44) XIAPDPP4DPP8DPP9
SCHEMBL27149740 0.78 XIAP (0.44) XIAPDPP4DPP8DPP9
SCHEMBL30052896 0.78 XIAP (0.64) ELANEXIAPDPP4DPP8DPP9

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