SCHEMBL5515580

SCHEMBL5515580

CC(C)[C@H](C(=O)N(C)CC(O)CO)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.31

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
SCHEMBL13691106 0.84 DPP4 (0.32) DPP4
SCHEMBL14679340 0.84 DPP4 (0.32) DPP4
SCHEMBL16750127 0.79 LMNA (0.33) DPP4
SCHEMBL20934754 0.79 LMNA (0.33) DPP4
SCHEMBL2746046 0.79 DPP4 (0.53) DPP4
SCHEMBL5513768 0.76 CHRNB2 (0.39) DPP4
SCHEMBL13821860 0.75 DPP4 (0.35) DPP4
SCHEMBL11923113 0.73 RIPK1 (0.33)
SCHEMBL5510741 0.73
SCHEMBL2746420 0.70 DGAT1 (0.30)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed