SCHEMBL7860987

SCHEMBL7860987

CC(C)C(C(=O)C(F)(F)F)N1CCC[C@H]1C(=O)NC(=O)[C@@H](N)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.37
DPP4 P27487 6/20 0.33
DPP7 Q9UHL4 5/20 0.33
FAP Q12884 3/20 0.33
DPP8 Q6V1X1 3/20 0.33
PREP P48147 2/20 0.33
DPP9 Q86TI2 2/20 0.33
PITRM1 Q5JRX3 1/20 0.33
CYP2C19 P33261 1/20 0.32
PEPD P12955 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7952359 0.91 ELANE (0.36) ELANEDPP4DPP7FAPDPP8
SCHEMBL6742899 0.87 ELANE (0.33) ELANE
SCHEMBL7860575 0.79 ELANE (0.41) ELANE
Hydrochloric Acid SCHEMBL6591724 0.79 PEPD (0.34) ELANEDPP4DPP7FAPDPP8
SCHEMBL7860595 0.79 ELANE (0.46) ELANE
SCHEMBL10573364 0.78 XIAP (0.38) CYP2C19
SCHEMBL7860728 0.78 ELANE (0.41) ELANE
Hydrochloric Acid SCHEMBL7882835 0.77 L3MBTL1 (0.38) DPP4DPP7FAPDPP8PREP
Trifluoromethanesulfonic Acid SCHEMBL7286712 0.74 HTT (0.34) DPP4DPP7L3MBTL1ALDH1A1
SCHEMBL7960590 0.72 ELANE (0.40) ELANECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0762887-B1 ACYLATED ENOL DERIVATIVES AS PRODRUGS OF ELASTASE INHIBITORS MERRELL PHARMA INC (US) 2001-09-26 EP disclosed
US-5972897-A AN ANTIINFLAMMATORY AGENTS TREATING CYSTIC FIBROSIS AND EMPHYSEMA OR BOWEL DISEASES, A NEUTROPHIL ASSOCIATED INFLAMMATORY DISEASE, BRONCHITIS MERRELL PHARMACEUTICALS INC. (US) 1999-10-26 US disclosed
EP-0762887-A4 ACYLATED ENOL DERIVATIVES AS PRODRUGS OF ELASTASE INHIBITORS MERRELL PHARMA INC (US) 1999-03-31 EP disclosed
EP-0762887-A1 ACYLATED ENOL DERIVATIVES AS PRODRUGS OF ELASTASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1997-03-19 EP disclosed
WO-1995033478-A1 ACYLATED ENOL DERIVATIVES AS PRODRUGS OF ELASTASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1995-12-14 WO disclosed