SCHEMBL7403296

SCHEMBL7403296

CC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(O)C(F)(F)C(=O)NCCc1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.68
CTRC Q99895 1/20 0.54

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
SCHEMBL7398156 0.94 ELANE (0.72) ELANECTRC
SCHEMBL7402577 0.92 ELANE (0.68) ELANECTRC
SCHEMBL7400161 0.91 ELANE (0.72) ELANECTRC
SCHEMBL7398669 0.89 ELANE (0.69) ELANECTRC
SCHEMBL7397561 0.88 ELANE (0.68) ELANECTRC
SCHEMBL7396249 0.88 ELANE (0.68) ELANECTRC
SCHEMBL7398795 0.88 ELANE (0.79) ELANECTRC
SCHEMBL7397369 0.87 ELANE (0.67) ELANECTRC
SCHEMBL9584722 0.87 ELANE (0.77) ELANECTRC
SCHEMBL7397197 0.86 ELANE (0.74) ELANECTRC

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-5441960-A 1-pyrimidinylacetamide human leukocyte elastate inhibitors ZENECA LIMITED (GB) 1995-08-15 US disclosed
EP-0636141-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS. ZENECA LTD (GB) 1995-02-01 EP disclosed
WO-1993021210-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO disclosed