SCHEMBL7396226

SCHEMBL7396226

CC(=O)Nc1cnc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)C(=O)NCc2ccncc2)C(C)C)c1=O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.68
CMA1 P23946 2/20 0.60
CTRC Q99895 2/20 0.60

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
SCHEMBL7401405 0.90 ELANE (0.80) ELANECTRC
SCHEMBL9585315 0.89 ELANE (0.81) ELANE
SCHEMBL7399121 0.88 ELANE (0.73) ELANE
SCHEMBL9585729 0.87 ELANE (0.88) ELANE
SCHEMBL7394477 0.87 ELANE (0.57) ELANECMA1CTRC
SCHEMBL7392103 0.87 ELANE (0.68) ELANE
SCHEMBL7402103 0.84 ELANE (0.79) ELANECTRC
SCHEMBL7394990 0.84 ELANE (0.79) ELANECTRC
SCHEMBL7404982 0.83 CMA1 (0.65) ELANECMA1CTRC
SCHEMBL9584333 0.82 ELANE (0.91) 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
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