SCHEMBL7279936

SCHEMBL7279936

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(=O)c1nc2cc(C(N)=O)ccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 1.00

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
SCHEMBL7287017 0.93 ELANE (1.00) ELANE
SCHEMBL7278930 0.93 ELANE (1.00) ELANE
SCHEMBL7276542 0.91 ELANE (1.00) ELANE
SCHEMBL7279184 0.91 ELANE (1.00) ELANE
SCHEMBL27291021 0.91 ELANE (0.84) ELANE
SCHEMBL7287041 0.91 ELANE (0.84) ELANE
SCHEMBL7279268 0.88 ELANE (1.00) ELANE
SCHEMBL7279150 0.87 ELANE (0.88) ELANE
SCHEMBL7287172 0.85 ELANE (0.77) ELANE
SCHEMBL27297328 0.85 ELANE (0.77) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP claimed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed