SCHEMBL21796136

SCHEMBL21796136

Cn1c(-c2ccnn2-c2ccc(C#N)cc2)c(C(=O)NC2CCC(C(=O)N3CCC([N+](C)(C)C)CC3)CC2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.46

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
Benzene SCHEMBL19640007 0.99 ELANE (0.46) ELANE
SCHEMBL19656205 0.92 ELANE (0.46) ELANE
SCHEMBL21796133 0.89 ELANE (0.46) ELANE
Benzene SCHEMBL19639994 0.89 ELANE (0.46) ELANE
SCHEMBL19656261 0.87 ELANE (0.50) ELANE
SCHEMBL19651226 0.87 ELANE (0.52) ELANE
SCHEMBL21796114 0.87 ELANE (0.47) ELANE
SCHEMBL21796086 0.87 ELANE (0.47) ELANE
SCHEMBL21796143 0.87 ELANE (0.48) ELANE
SCHEMBL21796077 0.87 ELANE (0.48) 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-3464268-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2020-03-11 EP claimed