SCHEMBL7363457

SCHEMBL7363457

COc1ccc(C(=O)NC(C(=O)N2CCCC2C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.65
CTSG P08311 1/20 0.64
CMA1 P23946 1/20 0.51

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
SCHEMBL8429826 1.00 ELANE (0.65) ELANECTSGCMA1
SCHEMBL7363455 1.00 ELANE (0.65) ELANECTSGCMA1
SCHEMBL4287233 1.00 ELANE (0.65) ELANECTSGCMA1
SCHEMBL18880036 0.90 ELANE (0.68) ELANECTSGCMA1
SCHEMBL7310675 0.90 ELANE (0.80) ELANECTSGCMA1
SCHEMBL17378380 0.90 ELANE (0.68) ELANECTSGCMA1
SCHEMBL13924699 0.89 ELANE (0.56) ELANECTSG
SCHEMBL18880040 0.88 ELANE (0.66) ELANECTSGCMA1
SCHEMBL22686717 0.88 ELANE (0.69) ELANECTSGCMA1
SCHEMBL20943172 0.88 ELANE (0.69) ELANECTSGCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6037363-A Diastereomeric pure trifluoromethyl ketone peptide derivatives as inhibitors of human leukocyte elastase ZENECA LIMITED (GB) 2000-03-14 US disclosed
US-6037363-A Diastereomeric pure trifluoromethyl ketone peptide derivatives as inhibitors of human leukocyte elastase ZENECA LIMITED (GB) 2000-03-14 US disclosed
EP-0743953-B1 DIASTEREOMERIC PURE TRIFLUOROMETHYL KETONE PEPTIDE DERIVATIVES AS INHIBITORS OF HUMAN LEUKOCYTE ELASTASE ZENECA LTD (GB) 1998-12-02 EP disclosed
WO-1995021855-A1 DIASTEREOMERIC PURE TRIFLUOROMETHYL KETONE PEPTIDE DERIVATIVES AS INHIBITORS OF HUMAN LEUKOCYTE ELASTASE ZENECA LIMITED (GB) 1995-08-17 WO disclosed