SCHEMBL20544205

SCHEMBL20544205

CCS(=N)c1ccc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.63
CCR1 P32246 5/20 0.41
DDT P30046 1/20 0.39

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
SCHEMBL17023287 0.93 ELANE (0.65) ELANECCR1
SCHEMBL17023263 0.87 ELANE (0.62) ELANECCR1
SCHEMBL17023259 0.87 ELANE (0.62) ELANECCR1
SCHEMBL17035601 0.87 ELANE (0.62) ELANECCR1
SCHEMBL17035600 0.87 ELANE (0.62) ELANECCR1
SCHEMBL17023258 0.87 ELANE (0.62) ELANECCR1
SCHEMBL17023264 0.87 ELANE (0.62) ELANECCR1
SCHEMBL17023275 0.87 ELANE (0.73) ELANECCR1
SCHEMBL17023272 0.86 ELANE (0.66) ELANECCR1DDT
SCHEMBL17023278 0.86 ELANE (0.74) ELANE

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-3107911-B1 SUBSTITUTED PYRIDONES AND PYRAZINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2018-10-31 EP disclosed