SCHEMBL7285240

SCHEMBL7285240

O=C(Cn1c(CCc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)NC(CO)C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.73
CTRC Q99895 5/20 0.73
CASP1 P29466 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
SCHEMBL7282754 0.85 ELANE (0.75) ELANECTRC
SCHEMBL7273863 0.84 ELANE (1.00) ELANECTRC
SCHEMBL2801889 0.82 ELANE (0.65) ELANECTRCCASP1
SCHEMBL7447790 0.77 ELANE (0.69) ELANECTRC
SCHEMBL7274723 0.76 ELANE (0.73) ELANECTRC
SCHEMBL7442027 0.74 ELANE (0.64) ELANECTRC
SCHEMBL30280076 0.74 CTRB1 (0.52) ELANE
SCHEMBL8641725 0.74 ELANE (0.56) ELANECTRCCASP1
SCHEMBL7441333 0.74 ELANE (0.71) ELANECTRC
SCHEMBL7274215 0.73 ELANE (0.74) ELANECTRCCASP1

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-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed