SCHEMBL7962409

SCHEMBL7962409

O=C(Cn1c(-c2ccccc2)ncc(NS(=O)(=O)NCc2ccccc2)c1=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)CCCOc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.45
CMA1 P23946 9/20 0.39
CTRC Q99895 5/20 0.39

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
SCHEMBL7951070 0.91 ELANE (0.43) ELANECMA1CTRC
SCHEMBL7961920 0.90 ELANE (0.44) ELANECMA1CTRC
SCHEMBL4463669 0.88 ELANE (0.44) ELANECMA1CTRC
SCHEMBL7960906 0.87 ELANE (0.44) ELANECMA1CTRC
SCHEMBL7961580 0.87 ELANE (0.47) ELANECMA1CTRC
SCHEMBL7961591 0.84 ELANE (0.49) ELANECMA1CTRC
SCHEMBL7951058 0.84 ELANE (0.49) ELANECMA1CTRC
SCHEMBL7950527 0.83 CMA1 (0.42) ELANECMA1CTRC
SCHEMBL7962497 0.82 ELANE (0.55) ELANECTRC
SCHEMBL8323709 0.82 ELANE (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed