SCHEMBL10074274

SCHEMBL10074274

CC(C)(C)OC(=O)NC(CCCCN)C(=O)N1CCSC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.56
ITGA2B P08514 10/20 0.56
DPP7 Q9UHL4 5/20 0.55
DPP4 P27487 3/20 0.55
DPP8 Q6V1X1 2/20 0.55
DPP9 Q86TI2 2/20 0.55
PREP P48147 1/20 0.51
TGM2 P21980 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL4906556 1.00 ITGB3 (0.56) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL4913602 0.97 DPP7 (0.54) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL4913612 0.88 PREP (0.50) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL6890952 0.86 PREP (0.48) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL6100308 0.85 PREP (0.52) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL7964692 0.84 ITGB3 (0.66) ITGB3ITGA2BTGM2TSHR
SCHEMBL6768135 0.84 ITGB3 (0.66) ITGB3ITGA2BTGM2TSHR
SCHEMBL6100302 0.84 PREP (0.53) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL5351068 0.83 PREP (0.57) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL27586353 0.83 PREP (0.57) ITGB3ITGA2BDPP7DPP4DPP8

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
EP-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed