SCHEMBL5207617

SCHEMBL5207617

COC(=O)[C@@H](C)OC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)C(C(=O)O)C1c1ccc(C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.63
▸ CYP3A4 P08684 5/20 0.63
▸ CYP2C9 P11712 7/20 0.54

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
SCHEMBL14498362 0.92 ELANE (0.76) ELANECYP3A4CYP2C9
SCHEMBL5204916 0.86 ELANE (0.77) ELANECYP3A4CYP2C9
SCHEMBL5623594 0.85 ELANE (0.69) ELANECYP3A4CYP2C9
SCHEMBL8342560 0.85 ELANE (0.52) ELANECYP3A4CYP2C9
SCHEMBL8344736 0.84 ELANE (0.76) ELANECYP3A4CYP2C9
SCHEMBL2896316 0.84 ELANE (0.76) ELANECYP3A4CYP2C9
SCHEMBL333331 0.84 ELANE (0.79) ELANECYP3A4CYP2C9
SCHEMBL14431514 0.83 ELANE (0.75) ELANECYP3A4CYP2C9
SCHEMBL4681596 0.83 ELANE (0.65) ELANECYP3A4CYP2C9
SCHEMBL4684604 0.83 ELANE (0.65) ELANECYP3A4CYP2C9

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-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 — — EP disclosed
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