SCHEMBL16298308

SCHEMBL16298308

CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(SCCCCCCBr)=NC1c1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.58
▸ CYP2C9 P11712 3/20 0.58
▸ CYP3A4 P08684 2/20 0.57

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
SCHEMBL16298292 1.00 ELANE (0.58) ELANECYP2C9CYP3A4
SCHEMBL16298340 0.96 ELANE (0.62) ELANECYP2C9CYP3A4
SCHEMBL8239844 0.96 ELANE (0.62) ELANECYP2C9CYP3A4
SCHEMBL2678682 0.93 ELANE (0.61) ELANECYP2C9CYP3A4
SCHEMBL16298305 0.92 ELANE (0.57) ELANECYP2C9CYP3A4
SCHEMBL4547774 0.92 ELANE (0.60) ELANECYP2C9CYP3A4
SCHEMBL2824680 0.91 ELANE (0.63) ELANECYP2C9CYP3A4
SCHEMBL16298309 0.91 ELANE (0.58) ELANECYP2C9CYP3A4
SCHEMBL16298281 0.91 ELANE (0.58) ELANECYP2C9CYP3A4
SCHEMBL16298307 0.90 ELANE (0.54) ELANECYP2C9CYP3A4

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
WO-2007042815-A1 COMPOUNDS CONTAINING MORE THAN ONE HUMAN NEUTROPHIL ELASTASE INHIBITING MOIETY FOR USE IN THE TREATMENT OF RESPIRATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2007-04-19 — — WO disclosed
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