SCHEMBL8323709

SCHEMBL8323709

O=C(Cn1c(-c2ccccc2)ncc(NC(=O)OCc2ccncc2)c1=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)CCCOc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.55
CTRC Q99895 1/20 0.43

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
SCHEMBL7962497 1.00 ELANE (0.55) ELANECTRC
SCHEMBL7961330 0.92 ELANE (0.52) ELANE
SCHEMBL7961580 0.88 ELANE (0.47) ELANECTRC
SCHEMBL6707494 0.88 ELANE (0.55) ELANECTRC
SCHEMBL7961591 0.88 ELANE (0.49) ELANECTRC
SCHEMBL7951058 0.88 ELANE (0.49) ELANECTRC
SCHEMBL7960906 0.85 ELANE (0.44) ELANECTRC
SCHEMBL7961920 0.84 ELANE (0.44) ELANECTRC
SCHEMBL7950527 0.83 CMA1 (0.42) ELANECTRC
SCHEMBL7959687 0.83 ELANE (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed